CID int64 1 166M | SMILES stringlengths 2 100 | description stringlengths 110 8.95k | sequence stringlengths 89 1.57k |
|---|---|---|---|
1 | CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C | This is a description of a molecule: The molecule is an O-acylcarnitine having acetyl as the acyl substituent. It has a role as a human metabolite. It is functionally related to an acetic acid. It is a conjugate base of an O-acetylcarnitinium.
The molecule is a natural product found in Pseudo-nitzschia multistriata, Eu... | <graph>g_426molecule#node#0#6molecule#edge#0g_427molecule#node#0#5molecule#edge#0#0g_428molecule#node#0#5molecule#edge#0#0g_429molecule#node#0#7molecule#edge#0#0g_430molecule#node#0#5molecule#edge#0#0g_431molecule#node#0#5molecule#edge#0#0g_430molecule#node#0#5molecule#edge#0#0g_432molecule#node#0#7molecule#edge#0#1g_4... |
10,000 | C(CCl)C(F)(F)F | This is a description of a molecule: 3-chloro-1,1,1-trifluoropropane appears as a colorless odorless nonflammable liquid. Poisonous by inhalation. Emits toxic fumes of chlorine and fluorine when heated to decomposition. Generate this molecule graph between <graph> </graph>: | <graph>g_463molecule#node#0#8molecule#edge#0g_464molecule#node#0#5molecule#edge#0#0g_465molecule#node#0#5molecule#edge#0#0g_466molecule#node#0#5molecule#edge#0#0g_467molecule#node#0#16molecule#edge#0#0g_466molecule#node#0#5molecule#edge#0#0g_465molecule#node#0#5molecule#edge#0#0g_464molecule#node#0#5molecule#edge#0#0g_... |
100,005 | C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC=CC=C2 | This is a description of a molecule: The molecule is a natural product found in Aspergillus flavipes with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_130molecule#node#0#5molecule#edge#0g_131molecule#node#0#5molecule#edge#0#0g_132molecule#node#0#5molecule#edge#0#0g_133molecule#node#0#5molecule#edge#0#3g_134molecule#node#0#5molecule#edge#0#3g_135molecule#node#0#5molecule#edge#0#3g_136molecule#node#0#5molecule#edge#0#3g_137molecule#node#0#5molecule#edge#0#3g_1... |
10,000,860 | C[C@@H](C(=O)[O-])[O-].C1C[C@H]([C@@H]1CN)CN.[Pt+2] | This is a description of a molecule: Lobaplatin has been used in trials studying the treatment of Breast Cancer, Hepatocellular Carcinoma, and Lobaplatin and Gemcitabine in Combination, Second-line Treatments on Advanced Osteosarcoma. Generate this molecule graph between <graph> </graph>: | <graph>g_121molecule#node#0#77molecule#edge#0g_122molecule#node#0#7molecule#edge#0g_123molecule#node#0#5molecule#edge#0#0g_124molecule#node#0#5molecule#edge#0#0g_123molecule#node#0#5molecule#edge#0#0g_125molecule#node#0#5molecule#edge#0#0g_126molecule#node#0#7molecule#edge#0#1g_125molecule#node#0#5molecule#edge#0#1g_12... |
100,016 | C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | This is a description of a molecule: The molecule is a member of pyrimidine ribonucleosides.
A chemically stable, cytidine analog that displays anti-tumor properties. It acts as a transition state analog inhibitor of cytidine deaminase by binding to the active site as covalent hydrates. Also shown to inhibit DNA methyl... | <graph>g_222molecule#node#0#5molecule#edge#0g_223molecule#node#0#5molecule#edge#0#3g_224molecule#node#0#5molecule#edge#0#3g_225molecule#node#0#6molecule#edge#0#3g_226molecule#node#0#5molecule#edge#0#0g_227molecule#node#0#5molecule#edge#0#0g_228molecule#node#0#7molecule#edge#0#0g_227molecule#node#0#5molecule#edge#0#0g_2... |
100,034 | CC1(CC2C=C(C34CC3(C2C1)C(=O)OC4O)C=O)C | This is a description of a molecule: The molecule is a natural product found in Strobilurus esculentus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_209molecule#node#0#5molecule#edge#0g_210molecule#node#0#5molecule#edge#0#0g_211molecule#node#0#5molecule#edge#0#0g_210molecule#node#0#5molecule#edge#0#0g_212molecule#node#0#5molecule#edge#0#0g_210molecule#node#0#5molecule#edge#0#0g_213molecule#node#0#5molecule#edge#0#0g_214molecule#node#0#5molecule#edge#0#0g_2... |
10,005 | C(#N)N=C(N)N | This is a description of a molecule: The molecule is a guanidine in which one of the amino hydrogens of guanidine itself is substituted by a cyano group. It is used in the manufacture of fertilizers, pharmaceuticals, explosives, oil well drilling muds, and dyestuffs. It has a role as a curing agent, a flame retardant, ... | <graph>g_184molecule#node#0#6molecule#edge#0g_185molecule#node#0#5molecule#edge#0#0g_186molecule#node#0#6molecule#edge#0#2g_185molecule#node#0#5molecule#edge#0#2g_184molecule#node#0#6molecule#edge#0#0g_187molecule#node#0#5molecule#edge#0#1g_188molecule#node#0#6molecule#edge#0#0g_187molecule#node#0#5molecule#edge#0#0g_1... |
10,006 | C1C(=O)NC(=O)N1 | This is a description of a molecule: The molecule is an imidazolidine-2,4-dione.
Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS. Generate this molecule graph between <graph> </graph>: | <graph>g_50molecule#node#0#6molecule#edge#0g_51molecule#node#0#5molecule#edge#0#0g_52molecule#node#0#7molecule#edge#0#1g_51molecule#node#0#5molecule#edge#0#1g_53molecule#node#0#5molecule#edge#0#0g_54molecule#node#0#6molecule#edge#0#0g_55molecule#node#0#5molecule#edge#0#0g_56molecule#node#0#7molecule#edge#0#1g_55molecul... |
100,070,543 | C[S@](=O)CCCCCC#N | This is a description of a molecule: The molecule is a natural product found in Aurinia sinuata with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_386molecule#node#0#5molecule#edge#0g_387molecule#node#0#5molecule#edge#0#0g_388molecule#node#0#5molecule#edge#0#0g_389molecule#node#0#5molecule#edge#0#0g_390molecule#node#0#5molecule#edge#0#0g_391molecule#node#0#15molecule#edge#0#0g_392molecule#node#0#5molecule#edge#0#0g_391molecule#node#0#15molecule#edge#0#0g... |
100,077 | CC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C | This is a description of a molecule: The molecule is a natural product found in Penicillium roqueforti with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_14molecule#node#0#5molecule#edge#0g_15molecule#node#0#5molecule#edge#0#3g_16molecule#node#0#5molecule#edge#0#0g_17molecule#node#0#5molecule#edge#0#0g_18molecule#node#0#5molecule#edge#0#0g_19molecule#node#0#5molecule#edge#0#0g_20molecule#node#0#5molecule#edge#0#0g_21molecule#node#0#5molecule#edge#0#0g_20molecul... |
1,001 | C1=CC=C(C=C1)CCN | This is a description of a molecule: The molecule is a phenylethylamine having the phenyl substituent at the 2-position. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a phenylethylamine, an aralkylamine and an alkaloid. It is a conjugate base of a 2-phenylethanaminium... | <graph>g_317molecule#node#0#5molecule#edge#0g_318molecule#node#0#5molecule#edge#0#3g_319molecule#node#0#5molecule#edge#0#3g_320molecule#node#0#5molecule#edge#0#3g_321molecule#node#0#5molecule#edge#0#0g_322molecule#node#0#5molecule#edge#0#0g_323molecule#node#0#6molecule#edge#0#0g_322molecule#node#0#5molecule#edge#0#0g_3... |
10,010 | C(CSSCCC(C(=O)O)N)C(C(=O)O)N | This is a description of a molecule: The molecule is an organic disulfide obtained by oxidative dimerisation of homocysteine. It has a role as a human metabolite. It is a tautomer of a homocystine zwitterion. Generate this molecule graph between <graph> </graph>: | <graph>g_312molecule#node#0#5molecule#edge#0g_313molecule#node#0#5molecule#edge#0#0g_314molecule#node#0#5molecule#edge#0#0g_315molecule#node#0#15molecule#edge#0#0g_316molecule#node#0#15molecule#edge#0#0g_317molecule#node#0#5molecule#edge#0#0g_318molecule#node#0#5molecule#edge#0#0g_319molecule#node#0#5molecule#edge#0#0g... |
10,011,839 | CCC/C=C\O | This is a description of a molecule: The molecule is a natural product found in Akebia trifoliata with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_2molecule#node#0#7molecule#edge#0g_3molecule#node#0#5molecule#edge#0#0g_4molecule#node#0#5molecule#edge#0#1g_5molecule#node#0#5molecule#edge#0#0g_6molecule#node#0#5molecule#edge#0#0g_7molecule#node#0#5molecule#edge#0#0</graph> |
10,011,999 | CC1=CC(=O)C[C@@H](O1)CO | This is a description of a molecule: The molecule is a natural product found in Hericium erinaceus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_477molecule#node#0#7molecule#edge#0g_478molecule#node#0#5molecule#edge#0#0g_479molecule#node#0#5molecule#edge#0#0g_478molecule#node#0#5molecule#edge#0#0g_480molecule#node#0#5molecule#edge#0#1g_481molecule#node#0#5molecule#edge#0#0g_482molecule#node#0#7molecule#edge#0#1g_481molecule#node#0#5molecule#edge#0#1g_4... |
10,012,025 | CC[C@@H]1COC(=O)C[C@H]1O | This is a description of a molecule: The molecule is a natural product found in Plakortis simplex with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_226molecule#node#0#5molecule#edge#0g_227molecule#node#0#5molecule#edge#0#0g_228molecule#node#0#5molecule#edge#0#0g_229molecule#node#0#5molecule#edge#0#0g_228molecule#node#0#5molecule#edge#0#0g_227molecule#node#0#5molecule#edge#0#0g_230molecule#node#0#5molecule#edge#0#0g_231molecule#node#0#7molecule#edge#0#0g_2... |
10,012,081 | CC1([C@@H]2C[C@H]1C(=C)C(=O)C2)C | This is a description of a molecule: The molecule is a natural product found in Agastache cana, Cistus creticus, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_72molecule#node#0#5molecule#edge#0g_73molecule#node#0#5molecule#edge#0#0g_74molecule#node#0#5molecule#edge#0#0g_75molecule#node#0#5molecule#edge#0#0g_74molecule#node#0#5molecule#edge#0#0g_76molecule#node#0#5molecule#edge#0#0g_74molecule#node#0#5molecule#edge#0#0g_77molecule#node#0#5molecule#edge#0#0g_74molecul... |
10,012,195 | C/C=C\1/C2=CCCNC2=CC1=O | This is a description of a molecule: The molecule is a natural product found in Streptomyces and Streptomyces osmaniensis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_67molecule#node#0#5molecule#edge#0g_68molecule#node#0#5molecule#edge#0#0g_69molecule#node#0#5molecule#edge#0#0g_70molecule#node#0#5molecule#edge#0#1g_71molecule#node#0#5molecule#edge#0#0g_70molecule#node#0#5molecule#edge#0#0g_69molecule#node#0#5molecule#edge#0#1g_72molecule#node#0#5molecule#edge#0#0g_73molecul... |
10,012,225 | C/C=C/1\C=CC2[C@]13[C@H](O3)CCN2 | This is a description of a molecule: The molecule is a natural product found in Colletotrichum lagenaria with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_404molecule#node#0#5molecule#edge#0g_405molecule#node#0#5molecule#edge#0#0g_406molecule#node#0#5molecule#edge#0#1g_407molecule#node#0#5molecule#edge#0#0g_406molecule#node#0#5molecule#edge#0#0g_405molecule#node#0#5molecule#edge#0#1g_408molecule#node#0#5molecule#edge#0#0g_409molecule#node#0#5molecule#edge#0#0g_4... |
10,012,258 | CC(=O)C1=CC[C@H]2CC[C@@H]1N2C | This is a description of a molecule: The molecule is a natural product found in Darlingia ferruginea with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_347molecule#node#0#5molecule#edge#0g_348molecule#node#0#5molecule#edge#0#0g_347molecule#node#0#5molecule#edge#0#0g_349molecule#node#0#7molecule#edge#0#1g_347molecule#node#0#5molecule#edge#0#1g_350molecule#node#0#5molecule#edge#0#0g_351molecule#node#0#5molecule#edge#0#1g_352molecule#node#0#5molecule#edge#0#0g_3... |
10,012,333 | C[C@@H]1C[C@@H](C(=O)O[C@H]1C(C)C)C | This is a description of a molecule: The molecule is a natural product found in Macrocentrus cingulum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_226molecule#node#0#5molecule#edge#0g_227molecule#node#0#5molecule#edge#0#0g_228molecule#node#0#5molecule#edge#0#0g_227molecule#node#0#5molecule#edge#0#0g_229molecule#node#0#5molecule#edge#0#0g_230molecule#node#0#5molecule#edge#0#0g_231molecule#node#0#5molecule#edge#0#0g_230molecule#node#0#5molecule#edge#0#0g_2... |
10,012,388 | C1C[C@@H]2[C@H]([C@@H]([C@H](N2C1)CO)O)O | This is a description of a molecule: The molecule is a natural product found in Muscari armeniacum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_62molecule#node#0#6molecule#edge#0g_63molecule#node#0#5molecule#edge#0#0g_64molecule#node#0#5molecule#edge#0#0g_65molecule#node#0#5molecule#edge#0#0g_66molecule#node#0#5molecule#edge#0#0g_62molecule#node#0#6molecule#edge#0#0g_63molecule#node#0#5molecule#edge#0#0g_67molecule#node#0#5molecule#edge#0#0g_68molecul... |
10,012,541 | CC(C1=CC(=CN=C1)C(=O)OC)O | This is a description of a molecule: The molecule is a natural product found in Strychnos cocculoides and Strychnos spinosa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_502molecule#node#0#7molecule#edge#0g_503molecule#node#0#5molecule#edge#0#0g_504molecule#node#0#5molecule#edge#0#0g_503molecule#node#0#5molecule#edge#0#0g_505molecule#node#0#5molecule#edge#0#0g_506molecule#node#0#5molecule#edge#0#3g_507molecule#node#0#5molecule#edge#0#3g_508molecule#node#0#5molecule#edge#0#0g_5... |
10,012,855 | C=C/C=C(/CO)\C1=C(CCC1=O)CO | This is a description of a molecule: The molecule is a natural product found in Synechocystis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_57molecule#node#0#7molecule#edge#0g_58molecule#node#0#5molecule#edge#0#0g_59molecule#node#0#5molecule#edge#0#0g_60molecule#node#0#5molecule#edge#0#1g_61molecule#node#0#5molecule#edge#0#0g_62molecule#node#0#5molecule#edge#0#1g_63molecule#node#0#5molecule#edge#0#0g_64molecule#node#0#5molecule#edge#0#1g_63molecul... |
10,012,884 | CC(CO)NC(=O)C1=CC=CC=C1O | This is a description of a molecule: The molecule is a natural product found in Streptomyces hygroscopicus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_393molecule#node#0#5molecule#edge#0g_394molecule#node#0#5molecule#edge#0#3g_395molecule#node#0#5molecule#edge#0#0g_396molecule#node#0#6molecule#edge#0#0g_397molecule#node#0#5molecule#edge#0#0g_398molecule#node#0#5molecule#edge#0#0g_397molecule#node#0#5molecule#edge#0#0g_399molecule#node#0#5molecule#edge#0#0g_4... |
10,012,964 | C1=COC(=C1)/C=C/C#CC#C/C=C/CO | This is a description of a molecule: The molecule is a natural product found in Atractylodes lancea with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_335molecule#node#0#5molecule#edge#0g_336molecule#node#0#5molecule#edge#0#3g_337molecule#node#0#7molecule#edge#0#3g_338molecule#node#0#5molecule#edge#0#3g_339molecule#node#0#5molecule#edge#0#0g_340molecule#node#0#5molecule#edge#0#1g_341molecule#node#0#5molecule#edge#0#0g_342molecule#node#0#5molecule#edge#0#2g_3... |
10,012,994 | CN1C=C2C=CN=C3C2=C1C(=O)C(=C3)N | This is a description of a molecule: The molecule is a natural product found in Zyzzya fuliginosa and Zyzzya with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_138molecule#node#0#7molecule#edge#0g_139molecule#node#0#5molecule#edge#0#1g_140molecule#node#0#5molecule#edge#0#0g_141molecule#node#0#6molecule#edge#0#3g_142molecule#node#0#5molecule#edge#0#0g_141molecule#node#0#6molecule#edge#0#0g_143molecule#node#0#5molecule#edge#0#3g_144molecule#node#0#5molecule#edge#0#3g_1... |
10,013,009 | C[C@@H]([C@@H](CCCCCCCC=C)O)N | This is a description of a molecule: The molecule is a natural product found in Haliclona with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_358molecule#node#0#5molecule#edge#0g_359molecule#node#0#5molecule#edge#0#0g_360molecule#node#0#5molecule#edge#0#0g_361molecule#node#0#5molecule#edge#0#0g_362molecule#node#0#5molecule#edge#0#0g_363molecule#node#0#5molecule#edge#0#0g_364molecule#node#0#5molecule#edge#0#0g_365molecule#node#0#5molecule#edge#0#0g_3... |
10,013,024 | CCC(C)C(C1=C(C(OC1=O)O)C)O | This is a description of a molecule: The molecule is a natural product found in Streptomyces antibioticus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_129molecule#node#0#5molecule#edge#0g_130molecule#node#0#5molecule#edge#0#0g_131molecule#node#0#5molecule#edge#0#0g_130molecule#node#0#5molecule#edge#0#0g_132molecule#node#0#5molecule#edge#0#1g_133molecule#node#0#5molecule#edge#0#0g_134molecule#node#0#5molecule#edge#0#0g_135molecule#node#0#5molecule#edge#0#0g_1... |
10,013,144 | C1=CC=C(C(=C1)C[C@@H](C(=O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Prunus cerasus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_384molecule#node#0#5molecule#edge#0g_385molecule#node#0#5molecule#edge#0#3g_386molecule#node#0#7molecule#edge#0#0g_385molecule#node#0#5molecule#edge#0#0g_387molecule#node#0#5molecule#edge#0#3g_388molecule#node#0#5molecule#edge#0#3g_389molecule#node#0#5molecule#edge#0#3g_390molecule#node#0#5molecule#edge#0#3g_3... |
10,013,206 | CC(=C)[C@@H]1[C@@H](C2=C(O1)C=CC(=C2)CO)O | This is a description of a molecule: The molecule is a natural product found in Lauriliella taxodii with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_376molecule#node#0#5molecule#edge#0g_377molecule#node#0#5molecule#edge#0#0g_378molecule#node#0#5molecule#edge#0#1g_377molecule#node#0#5molecule#edge#0#1g_379molecule#node#0#5molecule#edge#0#0g_380molecule#node#0#5molecule#edge#0#0g_381molecule#node#0#7molecule#edge#0#0g_380molecule#node#0#5molecule#edge#0#0g_3... |
10,013,364 | CCCCCCCCCCCC(=O)C=C | This is a description of a molecule: The molecule is an enone. Generate this molecule graph between <graph> </graph>: | <graph>g_483molecule#node#0#5molecule#edge#0g_484molecule#node#0#5molecule#edge#0#0g_485molecule#node#0#5molecule#edge#0#0g_486molecule#node#0#5molecule#edge#0#0g_487molecule#node#0#5molecule#edge#0#0g_488molecule#node#0#5molecule#edge#0#0g_489molecule#node#0#5molecule#edge#0#0g_490molecule#node#0#5molecule#edge#0#0g_4... |
10,013,505 | CC[C@H]1C(=O)NC2(S1)CCN(CC2)C | This is a description of a molecule: The molecule is a muscarinic agonist. It is developed for the treatment of Alzheimer’s disease and has shown the potential to both reduce symptoms and slow disease progression. Generate this molecule graph between <graph> </graph>: | <graph>g_442molecule#node#0#6molecule#edge#0g_443molecule#node#0#5molecule#edge#0#0g_444molecule#node#0#5molecule#edge#0#0g_445molecule#node#0#5molecule#edge#0#0g_446molecule#node#0#6molecule#edge#0#0g_447molecule#node#0#5molecule#edge#0#0g_448molecule#node#0#7molecule#edge#0#1g_447molecule#node#0#5molecule#edge#0#1g_4... |
10,013,672 | CC[Si](CC)(CC)/C=C\CCCCl | This is a description of a molecule: The molecule is an organosilicon compound. Generate this molecule graph between <graph> </graph>: | <graph>g_128molecule#node#0#5molecule#edge#0g_129molecule#node#0#5molecule#edge#0#0g_130molecule#node#0#13molecule#edge#0#0g_131molecule#node#0#5molecule#edge#0#0g_132molecule#node#0#5molecule#edge#0#0g_131molecule#node#0#5molecule#edge#0#0g_130molecule#node#0#13molecule#edge#0#0g_133molecule#node#0#5molecule#edge#0#0g... |
10,013,724 | C/C(=C\CC1=C(C(=CC(=C1)C=O)O)O)/C=O | This is a description of a molecule: The molecule is a natural product found in Bondarzewia mesenterica and Bondarzewia montana with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_90molecule#node#0#5molecule#edge#0g_91molecule#node#0#5molecule#edge#0#0g_92molecule#node#0#5molecule#edge#0#0g_91molecule#node#0#5molecule#edge#0#0g_93molecule#node#0#5molecule#edge#0#1g_94molecule#node#0#5molecule#edge#0#0g_95molecule#node#0#5molecule#edge#0#0g_96molecule#node#0#5molecule#edge#0#3g_97molecul... |
10,013,795 | COC1=CC(=C2C(=C1)OC(=CC2=O)CO)O | This is a description of a molecule: The molecule is a natural product found in Harrisonia perforata, Bupleurum falcatum, and Bupleurum scorzonerifolium with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_243molecule#node#0#7molecule#edge#0g_244molecule#node#0#5molecule#edge#0#0g_245molecule#node#0#5molecule#edge#0#3g_246molecule#node#0#5molecule#edge#0#3g_247molecule#node#0#7molecule#edge#0#0g_248molecule#node#0#5molecule#edge#0#0g_247molecule#node#0#7molecule#edge#0#0g_246molecule#node#0#5molecule#edge#0#0g_2... |
10,013,814 | C[C@]12CCCC(/C=C/C(=O)CC[C@@H]1O2)(C)C | This is a description of a molecule: The molecule is a natural product found in Mikania hirsutissima with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_186molecule#node#0#5molecule#edge#0g_187molecule#node#0#5molecule#edge#0#0g_188molecule#node#0#5molecule#edge#0#0g_187molecule#node#0#5molecule#edge#0#0g_189molecule#node#0#5molecule#edge#0#0g_187molecule#node#0#5molecule#edge#0#0g_190molecule#node#0#5molecule#edge#0#0g_191molecule#node#0#5molecule#edge#0#0g_1... |
10,013,825 | COC(=O)C1=C[C@H]([C@@H]([C@@H]([C@@H]1Cl)O)O)O | This is a description of a molecule: The molecule is a natural product found in Periconia byssoides with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_34molecule#node#0#5molecule#edge#0g_35molecule#node#0#5molecule#edge#0#1g_36molecule#node#0#5molecule#edge#0#0g_37molecule#node#0#7molecule#edge#0#0g_38molecule#node#0#5molecule#edge#0#0g_37molecule#node#0#7molecule#edge#0#0g_36molecule#node#0#5molecule#edge#0#0g_39molecule#node#0#7molecule#edge#0#1g_36molecul... |
10,014,060 | CN(C)CC1C2=C(CCN1)C3=CC=CC=C3N2 | This is a description of a molecule: The molecule is a natural product found in Xestospongia with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_53molecule#node#0#5molecule#edge#0g_54molecule#node#0#6molecule#edge#0#0g_55molecule#node#0#5molecule#edge#0#0g_54molecule#node#0#6molecule#edge#0#0g_56molecule#node#0#5molecule#edge#0#0g_57molecule#node#0#5molecule#edge#0#0g_58molecule#node#0#5molecule#edge#0#0g_59molecule#node#0#5molecule#edge#0#3g_58molecul... |
10,014,072 | COC(=O)/C=C/C1=CC=C(C=C1)OCC=C=C | This is a description of a molecule: The molecule is a natural product found in Xylaria with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_317molecule#node#0#5molecule#edge#0g_318molecule#node#0#5molecule#edge#0#1g_319molecule#node#0#5molecule#edge#0#1g_320molecule#node#0#5molecule#edge#0#0g_321molecule#node#0#7molecule#edge#0#0g_322molecule#node#0#5molecule#edge#0#0g_323molecule#node#0#5molecule#edge#0#3g_324molecule#node#0#5molecule#edge#0#3g_3... |
100,141 | CC1=C(CC2(CC1)C(=C)CC(C(C2(C)C)Br)O)Cl | This is a description of a molecule: The molecule is a natural product found in Laurencia majuscula and Laurencia dendroidea with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_157molecule#node#0#34molecule#edge#0g_158molecule#node#0#5molecule#edge#0#0g_159molecule#node#0#5molecule#edge#0#0g_160molecule#node#0#7molecule#edge#0#0g_159molecule#node#0#5molecule#edge#0#0g_161molecule#node#0#5molecule#edge#0#0g_162molecule#node#0#5molecule#edge#0#0g_163molecule#node#0#5molecule#edge#0#1g_... |
10,014,180 | CC1=C(C(=CC=C1)C)NC(=O)[C@@H]2CCCCN2 | This is a description of a molecule: The molecule is an amino acid amide. Generate this molecule graph between <graph> </graph>: | <graph>g_93molecule#node#0#5molecule#edge#0g_94molecule#node#0#5molecule#edge#0#0g_95molecule#node#0#5molecule#edge#0#0g_96molecule#node#0#5molecule#edge#0#0g_97molecule#node#0#6molecule#edge#0#0g_98molecule#node#0#5molecule#edge#0#0g_99molecule#node#0#5molecule#edge#0#3g_100molecule#node#0#5molecule#edge#0#0g_99molecu... |
10,014,185 | CCCCCC/C=C/CCC1=CC=C(C=C1)O | This is a description of a molecule: The molecule is a natural product found in Piper gibbilimbum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_443molecule#node#0#5molecule#edge#0g_444molecule#node#0#5molecule#edge#0#3g_445molecule#node#0#5molecule#edge#0#0g_446molecule#node#0#5molecule#edge#0#0g_447molecule#node#0#5molecule#edge#0#0g_448molecule#node#0#5molecule#edge#0#1g_449molecule#node#0#5molecule#edge#0#0g_450molecule#node#0#5molecule#edge#0#0g_4... |
10,014,270 | CC1=CC(=C(C(=C1)O)O)[C@]2(CCCC2(C)C)C | This is a description of a molecule: The molecule is a natural product found in Herbertus norenus, Herbertus dicranus, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_407molecule#node#0#5molecule#edge#0g_408molecule#node#0#5molecule#edge#0#0g_409molecule#node#0#5molecule#edge#0#0g_410molecule#node#0#5molecule#edge#0#3g_411molecule#node#0#5molecule#edge#0#3g_412molecule#node#0#5molecule#edge#0#0g_411molecule#node#0#5molecule#edge#0#0g_413molecule#node#0#5molecule#edge#0#3g_4... |
10,014,272 | C[C@H]1CC[C@H]([C@@]12CC(=C(C)C)C(=O)O2)C(=C)C | This is a description of a molecule: The molecule is a natural product found in Curcuma zedoaria and Curcuma heyneana with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_327molecule#node#0#7molecule#edge#0g_328molecule#node#0#5molecule#edge#0#1g_329molecule#node#0#5molecule#edge#0#0g_330molecule#node#0#5molecule#edge#0#1g_331molecule#node#0#5molecule#edge#0#0g_330molecule#node#0#5molecule#edge#0#0g_332molecule#node#0#5molecule#edge#0#0g_330molecule#node#0#5molecule#edge#0#0g_3... |
10,014,356 | C[C@@]12[C@H](O1)CCC(=C)[C@H]3CC([C@@H]3C[C@@H]2O)(C)C | This is a description of a molecule: The molecule is a natural product found in Subergorgia suberosa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_81molecule#node#0#5molecule#edge#0g_82molecule#node#0#5molecule#edge#0#0g_83molecule#node#0#5molecule#edge#0#0g_82molecule#node#0#5molecule#edge#0#0g_84molecule#node#0#5molecule#edge#0#0g_82molecule#node#0#5molecule#edge#0#0g_85molecule#node#0#7molecule#edge#0#0g_84molecule#node#0#5molecule#edge#0#0g_86molecul... |
10,014,358 | CC1=C[C@H]2[C@@H](CC[C@@]([C@H]2CC1=O)(C)O)C(C)C | This is a description of a molecule: The molecule is a natural product found in Santolina chamaecyparissus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_135molecule#node#0#5molecule#edge#0g_136molecule#node#0#5molecule#edge#0#0g_137molecule#node#0#5molecule#edge#0#0g_138molecule#node#0#5molecule#edge#0#0g_139molecule#node#0#5molecule#edge#0#0g_140molecule#node#0#5molecule#edge#0#1g_141molecule#node#0#5molecule#edge#0#0g_140molecule#node#0#5molecule#edge#0#0g_1... |
10,014,426 | C1=CC(=CN=C1)/C=C/C2=CNC3=C2C=CC(=C3)F | This is a description of a molecule: The molecule is a fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin... | <graph>g_150molecule#node#0#5molecule#edge#0g_151molecule#node#0#5molecule#edge#0#3g_152molecule#node#0#5molecule#edge#0#0g_153molecule#node#0#5molecule#edge#0#1g_154molecule#node#0#5molecule#edge#0#0g_155molecule#node#0#5molecule#edge#0#3g_156molecule#node#0#5molecule#edge#0#3g_157molecule#node#0#5molecule#edge#0#3g_1... |
10,014,667 | CC(=CCC1=C(C2=CC=CC=C2NC1=O)OC)C | This is a description of a molecule: The molecule is a natural product found in Ravenia spectabilis, Zanthoxylum zanthoxyloides, and Zanthoxylum wutaiense with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_141molecule#node#0#5molecule#edge#0g_142molecule#node#0#5molecule#edge#0#0g_143molecule#node#0#5molecule#edge#0#0g_142molecule#node#0#5molecule#edge#0#0g_144molecule#node#0#5molecule#edge#0#1g_145molecule#node#0#5molecule#edge#0#0g_146molecule#node#0#5molecule#edge#0#0g_147molecule#node#0#5molecule#edge#0#3g_1... |
10,014,709 | COC1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)O | This is a description of a molecule: The molecule is a natural product found in Dendrobium moniliforme, Pholidota chinensis, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_481molecule#node#0#5molecule#edge#0g_482molecule#node#0#5molecule#edge#0#0g_483molecule#node#0#5molecule#edge#0#0g_484molecule#node#0#5molecule#edge#0#0g_485molecule#node#0#5molecule#edge#0#3g_486molecule#node#0#5molecule#edge#0#3g_487molecule#node#0#7molecule#edge#0#0g_488molecule#node#0#5molecule#edge#0#0g_4... |
10,014,817 | CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)C | This is a description of a molecule: The molecule is a natural product found in Tagetes erecta, Rhaponticum uniflorum, and Arctium lappa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_24molecule#node#0#5molecule#edge#0g_25molecule#node#0#5molecule#edge#0#3g_26molecule#node#0#5molecule#edge#0#3g_27molecule#node#0#5molecule#edge#0#0g_28molecule#node#0#5molecule#edge#0#3g_29molecule#node#0#5molecule#edge#0#3g_30molecule#node#0#5molecule#edge#0#3g_31molecule#node#0#5molecule#edge#0#0g_32molecul... |
10,015 | CCCCCCC(=O)CCCCCC | This is a description of a molecule: The molecule is a natural product found in Schisandra chinensis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_335molecule#node#0#5molecule#edge#0g_336molecule#node#0#5molecule#edge#0#0g_335molecule#node#0#5molecule#edge#0#0g_337molecule#node#0#5molecule#edge#0#0g_338molecule#node#0#5molecule#edge#0#0g_339molecule#node#0#5molecule#edge#0#0g_340molecule#node#0#5molecule#edge#0#0g_341molecule#node#0#5molecule#edge#0#0g_3... |
10,015,003 | CC(CC1=C(COC1=O)CO)C2=CCC(C2)(C)C | This is a description of a molecule: The molecule is a natural product found in Lactarius necator, Lentinellus cochleatus, and Lactarius scrobiculatus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_320molecule#node#0#5molecule#edge#0g_321molecule#node#0#5molecule#edge#0#0g_322molecule#node#0#5molecule#edge#0#0g_323molecule#node#0#5molecule#edge#0#1g_324molecule#node#0#5molecule#edge#0#0g_325molecule#node#0#5molecule#edge#0#0g_324molecule#node#0#5molecule#edge#0#0g_326molecule#node#0#5molecule#edge#0#0g_3... |
10,015,025 | C1=CC2=C3C(=C1)C4=CC(=C(C=C4C(=O)N3C=C2)O)O | This is a description of a molecule: The molecule is a natural product found in Ammocharis coranica, Crinum asiaticum, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_400molecule#node#0#7molecule#edge#0g_401molecule#node#0#5molecule#edge#0#1g_402molecule#node#0#5molecule#edge#0#3g_403molecule#node#0#5molecule#edge#0#3g_404molecule#node#0#5molecule#edge#0#3g_405molecule#node#0#5molecule#edge#0#3g_406molecule#node#0#7molecule#edge#0#0g_405molecule#node#0#5molecule#edge#0#0g_4... |
10,015,192 | CC1=C[C@H]([C@@H]2[C@@]([C@]1(CO)O)(CCCC2(C)C)C)O | This is a description of a molecule: The molecule is a natural product found in Alternaria brassicae and Aspergillus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_508molecule#node#0#7molecule#edge#0g_509molecule#node#0#5molecule#edge#0#0g_510molecule#node#0#5molecule#edge#0#0g_511molecule#node#0#5molecule#edge#0#0g_0molecule#node#0#5molecule#edge#0#0g_511molecule#node#0#5molecule#edge#0#0g_1molecule#node#0#5molecule#edge#0#1g_2molecule#node#0#5molecule#edge#0#0g_3molecu... |
10,015,259 | CC(=O)C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O | This is a description of a molecule: The molecule is a natural product found in Newbouldia laevis and Handroanthus impetiginosus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_101molecule#node#0#5molecule#edge#0g_102molecule#node#0#5molecule#edge#0#0g_101molecule#node#0#5molecule#edge#0#0g_103molecule#node#0#7molecule#edge#0#1g_101molecule#node#0#5molecule#edge#0#1g_104molecule#node#0#5molecule#edge#0#0g_105molecule#node#0#5molecule#edge#0#3g_106molecule#node#0#5molecule#edge#0#3g_1... |
10,015,390 | C/C(=C\C[C@@]12CCN(C1NC3=CC=CC=C23)C)/CO | This is a description of a molecule: The molecule is a citraconoyl group. Generate this molecule graph between <graph> </graph>: | <graph>g_301molecule#node#0#5molecule#edge#0g_302molecule#node#0#5molecule#edge#0#0g_301molecule#node#0#5molecule#edge#0#0g_303molecule#node#0#5molecule#edge#0#1g_304molecule#node#0#5molecule#edge#0#0g_305molecule#node#0#5molecule#edge#0#0g_306molecule#node#0#5molecule#edge#0#0g_307molecule#node#0#5molecule#edge#0#0g_3... |
10,015,450 | C1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Tripterospermum lanceolatum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_110molecule#node#0#5molecule#edge#0g_111molecule#node#0#5molecule#edge#0#3g_112molecule#node#0#5molecule#edge#0#3g_113molecule#node#0#7molecule#edge#0#1g_112molecule#node#0#5molecule#edge#0#1g_114molecule#node#0#5molecule#edge#0#3g_115molecule#node#0#5molecule#edge#0#3g_116molecule#node#0#5molecule#edge#0#3g_1... |
10,015,453 | C1=CC=C(C=C1)C(=O)OC[C@@H](/C=C\2/C=CC(=O)O2)O | This is a description of a molecule: The molecule is a natural product found in Melodorum fruticosum and Uvaria siamensis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_375molecule#node#0#7molecule#edge#0g_376molecule#node#0#5molecule#edge#0#1g_377molecule#node#0#5molecule#edge#0#0g_378molecule#node#0#5molecule#edge#0#3g_379molecule#node#0#5molecule#edge#0#3g_380molecule#node#0#5molecule#edge#0#3g_381molecule#node#0#5molecule#edge#0#3g_382molecule#node#0#5molecule#edge#0#3g_3... |
10,015,461 | CC1=COC2=C1[C@H]3C=C(CC[C@H](C(=C)C2)O)C(=O)O3 | This is a description of a molecule: The molecule is a natural product found in Neolitsea parvigemma with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_335molecule#node#0#5molecule#edge#0g_336molecule#node#0#5molecule#edge#0#0g_337molecule#node#0#5molecule#edge#0#1g_338molecule#node#0#5molecule#edge#0#0g_337molecule#node#0#5molecule#edge#0#0g_336molecule#node#0#5molecule#edge#0#1g_339molecule#node#0#5molecule#edge#0#0g_340molecule#node#0#7molecule#edge#0#1g_3... |
10,015,552 | COC1=C(C=C2C=CC(=C(C2=C1OC)C=O)O)CO | This is a description of a molecule: The molecule is a natural product found in Hibiscus syriacus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_221molecule#node#0#7molecule#edge#0g_222molecule#node#0#5molecule#edge#0#0g_223molecule#node#0#5molecule#edge#0#3g_224molecule#node#0#5molecule#edge#0#3g_225molecule#node#0#5molecule#edge#0#3g_226molecule#node#0#5molecule#edge#0#3g_227molecule#node#0#5molecule#edge#0#3g_228molecule#node#0#5molecule#edge#0#0g_2... |
10,015,554 | C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NCC(=O)O | This is a description of a molecule: The molecule is a natural product found in Ircinia with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_489molecule#node#0#7molecule#edge#0g_490molecule#node#0#5molecule#edge#0#0g_491molecule#node#0#5molecule#edge#0#0g_492molecule#node#0#6molecule#edge#0#0g_493molecule#node#0#5molecule#edge#0#0g_494molecule#node#0#5molecule#edge#0#0g_495molecule#node#0#5molecule#edge#0#0g_496molecule#node#0#5molecule#edge#0#3g_4... |
10,015,562 | C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C\CC1)/C=O)O)C(=C)C(=O)O2 | This is a description of a molecule: The molecule is a natural product found in Schkuhria schkuhrioides, Helianthus annuus, and Helianthus maximiliani with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_7molecule#node#0#5molecule#edge#0g_8molecule#node#0#5molecule#edge#0#1g_9molecule#node#0#5molecule#edge#0#0g_8molecule#node#0#5molecule#edge#0#0g_10molecule#node#0#5molecule#edge#0#0g_11molecule#node#0#5molecule#edge#0#0g_12molecule#node#0#5molecule#edge#0#0g_13molecule#node#0#5molecule#edge#0#1g_14molecule#no... |
10,015,650 | C/C=C/C=C/C(=C\1/C(=C(C(=O)[C@@](C1=O)(C)O)C)O)/O | This is a description of a molecule: The molecule is a natural product found in Penicillium chrysogenum and Trichoderma with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_46molecule#node#0#5molecule#edge#0g_47molecule#node#0#5molecule#edge#0#1g_48molecule#node#0#5molecule#edge#0#0g_49molecule#node#0#5molecule#edge#0#1g_50molecule#node#0#5molecule#edge#0#0g_49molecule#node#0#5molecule#edge#0#0g_48molecule#node#0#5molecule#edge#0#1g_47molecule#node#0#5molecule#edge#0#0g_46molecul... |
10,015,663 | C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1CCC3=O)C)O)C(=C)C(=O)O2 | This is a description of a molecule: The molecule is a sesquiterpene lactonethat is 2,3-dihydroaromaticin substituted by an alpha-hydroxy group at position 6. It has been isolated from the aerial parts of Inula hupehensis. It has a role as a metabolite, an anti-inflammatory agent and a plant metabolite. It is a gamma-l... | <graph>g_244molecule#node#0#5molecule#edge#0g_245molecule#node#0#5molecule#edge#0#0g_246molecule#node#0#5molecule#edge#0#0g_247molecule#node#0#7molecule#edge#0#0g_246molecule#node#0#5molecule#edge#0#0g_248molecule#node#0#5molecule#edge#0#0g_249molecule#node#0#5molecule#edge#0#0g_248molecule#node#0#5molecule#edge#0#0g_2... |
10,015,748 | COCC1=C(C=C2C(=C1O)C(=O)C=C(O2)CO)OC | This is a description of a molecule: The molecule is a natural product found in Tolypocladium extinguens with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_104molecule#node#0#5molecule#edge#0g_105molecule#node#0#5molecule#edge#0#3g_106molecule#node#0#5molecule#edge#0#0g_107molecule#node#0#7molecule#edge#0#0g_108molecule#node#0#5molecule#edge#0#0g_107molecule#node#0#7molecule#edge#0#0g_106molecule#node#0#5molecule#edge#0#0g_105molecule#node#0#5molecule#edge#0#0g_1... |
10,015,758 | CC1C=C(C(=O)O1)CC(C23CC2C(OC3=O)(C)C)O | This is a description of a molecule: The molecule is a natural product found in Lachnum papyraceum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_263molecule#node#0#5molecule#edge#0g_264molecule#node#0#5molecule#edge#0#0g_265molecule#node#0#5molecule#edge#0#0g_266molecule#node#0#5molecule#edge#0#0g_267molecule#node#0#5molecule#edge#0#0g_268molecule#node#0#5molecule#edge#0#1g_269molecule#node#0#5molecule#edge#0#0g_270molecule#node#0#5molecule#edge#0#0g_2... |
10,015,863 | CC(C)[C@H]1CC[C@]2([C@@]13C=C[C@@]([C@H](C2)OO3)(C)OO)C | This is a description of a molecule: The molecule is a natural product found in Rosa rugosa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_392molecule#node#0#5molecule#edge#0g_393molecule#node#0#5molecule#edge#0#0g_394molecule#node#0#5molecule#edge#0#0g_395molecule#node#0#5molecule#edge#0#0g_396molecule#node#0#5molecule#edge#0#0g_397molecule#node#0#5molecule#edge#0#0g_398molecule#node#0#5molecule#edge#0#0g_397molecule#node#0#5molecule#edge#0#0g_3... |
10,015,908 | CN1CCC2=CC=CC=C2C3=CC(=C(C=C3C1)O)OC | This is a description of a molecule: The molecule is a natural product found in Crossyne flava with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_191molecule#node#0#5molecule#edge#0g_192molecule#node#0#5molecule#edge#0#0g_193molecule#node#0#6molecule#edge#0#0g_194molecule#node#0#5molecule#edge#0#0g_193molecule#node#0#6molecule#edge#0#0g_195molecule#node#0#5molecule#edge#0#0g_196molecule#node#0#5molecule#edge#0#0g_197molecule#node#0#5molecule#edge#0#3g_1... |
10,015,944 | CC1=C2C(=C(O1)C(=O)C)C(=O)C3=C(C2=O)C(=CC=C3)O | This is a description of a molecule: The molecule is a natural product found in Streptomyces with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_409molecule#node#0#7molecule#edge#0g_410molecule#node#0#5molecule#edge#0#0g_411molecule#node#0#5molecule#edge#0#3g_412molecule#node#0#5molecule#edge#0#3g_413molecule#node#0#5molecule#edge#0#0g_414molecule#node#0#7molecule#edge#0#1g_413molecule#node#0#5molecule#edge#0#1g_415molecule#node#0#5molecule#edge#0#0g_4... |
10,016,063 | COC1=CC(=C(C=C1)C/C=C/C2=CC(=C(C=C2)O)O)O | This is a description of a molecule: The molecule is a natural product found in Faramea multiflora with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_2molecule#node#0#5molecule#edge#0g_3molecule#node#0#5molecule#edge#0#1g_4molecule#node#0#5molecule#edge#0#0g_5molecule#node#0#5molecule#edge#0#0g_6molecule#node#0#5molecule#edge#0#3g_7molecule#node#0#7molecule#edge#0#0g_6molecule#node#0#5molecule#edge#0#0g_8molecule#node#0#5molecule#edge#0#3g_9molecule#node#0#... |
10,016,077 | CCCCCC1=C2C(=CC=C1)C(=CC=C2C(=O)O)OC | This is a description of a molecule: The molecule is a natural product found in Valeriana jatamansi with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_175molecule#node#0#7molecule#edge#0g_176molecule#node#0#5molecule#edge#0#1g_177molecule#node#0#5molecule#edge#0#0g_178molecule#node#0#5molecule#edge#0#3g_179molecule#node#0#5molecule#edge#0#3g_180molecule#node#0#5molecule#edge#0#0g_181molecule#node#0#5molecule#edge#0#0g_182molecule#node#0#5molecule#edge#0#0g_1... |
100,162 | C[C@@H]1[C@@H](OC(=O)[C@]1(C)C(=O)C)OC(=O)C | This is a description of a molecule: The molecule is a natural product found in Streptomyces ramulosus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_64molecule#node#0#5molecule#edge#0g_65molecule#node#0#5molecule#edge#0#0g_66molecule#node#0#5molecule#edge#0#0g_65molecule#node#0#5molecule#edge#0#0g_67molecule#node#0#5molecule#edge#0#0g_68molecule#node#0#7molecule#edge#0#0g_69molecule#node#0#5molecule#edge#0#0g_70molecule#node#0#7molecule#edge#0#1g_69molecul... |
10,016,502 | CC(C)C1CCC2(CO2)C3C1C=C(COC3=O)C(=O)O | This is a description of a molecule: The molecule is a natural product found in Aspergillus flavus and Aspergillus oryzae with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_341molecule#node#0#5molecule#edge#0g_342molecule#node#0#5molecule#edge#0#0g_343molecule#node#0#5molecule#edge#0#0g_344molecule#node#0#5molecule#edge#0#0g_343molecule#node#0#5molecule#edge#0#0g_345molecule#node#0#5molecule#edge#0#0g_343molecule#node#0#5molecule#edge#0#0g_342molecule#node#0#5molecule#edge#0#0g_3... |
10,016,534 | C[C@H]1CC[C@H]([C@]2(C1=C[C@@H](CC2)C(C)(C)OC(=O)C)C)O | This is a description of a molecule: The molecule is a natural product found in Virgularia juncea with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_451molecule#node#0#5molecule#edge#0g_452molecule#node#0#7molecule#edge#0#0g_453molecule#node#0#5molecule#edge#0#0g_454molecule#node#0#5molecule#edge#0#0g_455molecule#node#0#5molecule#edge#0#0g_456molecule#node#0#5molecule#edge#0#1g_457molecule#node#0#5molecule#edge#0#0g_458molecule#node#0#5molecule#edge#0#0g_4... |
10,016,623 | CC(C)CC(=O)C1=C([C@@H]2CC[C@@]([C@H]([C@@H]2O1)O)(C)O)C=O | This is a description of a molecule: The molecule is a natural product found in Cheimonophyllum candidissimum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_378molecule#node#0#5molecule#edge#0g_379molecule#node#0#5molecule#edge#0#0g_380molecule#node#0#5molecule#edge#0#0g_381molecule#node#0#5molecule#edge#0#0g_382molecule#node#0#5molecule#edge#0#0g_381molecule#node#0#5molecule#edge#0#0g_383molecule#node#0#5molecule#edge#0#0g_381molecule#node#0#5molecule#edge#0#0g_3... |
10,017,651 | CN(C)C[C@@H]1CCCC[C@]1(C2=CC(=CC=C2)OC)O.Cl | This is a description of a molecule: The molecule is a hydrochloride resulting from the reaction of (S,S)-tramadol with 1 molar equivalent of hydrogen chloride; the (S,S)-enantiomer of the racemic opioid analgesic tramadol hydrochloride, it exhibits ten-fold lower analgesic potency than the (R,R)-enantiomer. It has a r... | <graph>g_216molecule#node#0#16molecule#edge#0g_217molecule#node#0#5molecule#edge#0g_218molecule#node#0#5molecule#edge#0#3g_219molecule#node#0#5molecule#edge#0#0g_220molecule#node#0#5molecule#edge#0#0g_221molecule#node#0#5molecule#edge#0#0g_222molecule#node#0#6molecule#edge#0#0g_223molecule#node#0#5molecule#edge#0#0g_22... |
10,018,222 | C/C=C(/C12C(C(=CC(=O)C1(O2)Cl)OC)O)\Br | This is a description of a molecule: The molecule is a natural product found in Lachnum papyraceum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_44molecule#node#0#5molecule#edge#0g_45molecule#node#0#5molecule#edge#0#0g_46molecule#node#0#5molecule#edge#0#1g_47molecule#node#0#5molecule#edge#0#0g_46molecule#node#0#5molecule#edge#0#0g_45molecule#node#0#5molecule#edge#0#1g_48molecule#node#0#34molecule#edge#0#0g_45molecule#node#0#5molecule#edge#0#0g_44molecu... |
100,197 | CC(=CC(C(C)(C)C=C)O)C | This is a description of a molecule: The molecule is a natural product found in Artemisia douglasiana, Tanacetum vulgare, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_382molecule#node#0#5molecule#edge#0g_383molecule#node#0#5molecule#edge#0#0g_384molecule#node#0#5molecule#edge#0#1g_385molecule#node#0#5molecule#edge#0#0g_384molecule#node#0#5molecule#edge#0#0g_386molecule#node#0#5molecule#edge#0#0g_384molecule#node#0#5molecule#edge#0#0g_383molecule#node#0#5molecule#edge#0#1g_3... |
1,002 | C1=CC=C(C=C1)C2C(=O)NC(=O)N2 | This is a description of a molecule: The molecule is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Generate this molecule graph between <graph> </graph>: | <graph>g_156molecule#node#0#7molecule#edge#0g_157molecule#node#0#5molecule#edge#0#1g_158molecule#node#0#6molecule#edge#0#0g_159molecule#node#0#5molecule#edge#0#0g_160molecule#node#0#7molecule#edge#0#1g_159molecule#node#0#5molecule#edge#0#1g_161molecule#node#0#5molecule#edge#0#0g_162molecule#node#0#5molecule#edge#0#0g_1... |
10,020 | C(C(=O)O)NC(=O)N | This is a description of a molecule: The molecule is a member of the class of ureas obtained by formal condensation of the carboxy group of carbamic acid with the amino group of glycine. It has a role as a rat metabolite and a xenobiotic metabolite. It is a N-acylglycine, a member of ureas and a monocarboxylic acid. It... | <graph>g_84molecule#node#0#5molecule#edge#0g_85molecule#node#0#6molecule#edge#0#0g_86molecule#node#0#5molecule#edge#0#0g_87molecule#node#0#5molecule#edge#0#0g_88molecule#node#0#7molecule#edge#0#1g_87molecule#node#0#5molecule#edge#0#1g_89molecule#node#0#7molecule#edge#0#0g_87molecule#node#0#5molecule#edge#0#0g_86molecul... |
100,205 | C1CN(CCN1CCO)CC(CS(=O)(=O)O)O | This is a description of a molecule: The molecule is a N-(2-hydroxyethyl)piperazine and a N-(sulfoalkyl)piperazine. Generate this molecule graph between <graph> </graph>: | <graph>g_99molecule#node#0#6molecule#edge#0g_100molecule#node#0#5molecule#edge#0#0g_101molecule#node#0#5molecule#edge#0#0g_102molecule#node#0#6molecule#edge#0#0g_103molecule#node#0#5molecule#edge#0#0g_104molecule#node#0#5molecule#edge#0#0g_105molecule#node#0#7molecule#edge#0#0g_104molecule#node#0#5molecule#edge#0#0g_10... |
100,215 | CC1=COC2=C1CC3C(O3)(CCC4C(C2)(O4)C)C | This is a description of a molecule: The molecule is a natural product found in Smyrnium olusatrum, Smyrnium cordifolium, and Smyrnium creticum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_235molecule#node#0#5molecule#edge#0g_236molecule#node#0#5molecule#edge#0#0g_237molecule#node#0#5molecule#edge#0#0g_238molecule#node#0#5molecule#edge#0#0g_239molecule#node#0#5molecule#edge#0#0g_238molecule#node#0#5molecule#edge#0#0g_240molecule#node#0#5molecule#edge#0#0g_238molecule#node#0#5molecule#edge#0#0g_2... |
100,219 | C[C@]12CC[C@@H](C([C@@H]1CC=C3[C@@H](O2)COC3=O)(C)C)Br | This is a description of a molecule: The molecule is a natural product found in Laurencia filiformis, Laurencia saitoi, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_352molecule#node#0#7molecule#edge#0g_353molecule#node#0#5molecule#edge#0#0g_354molecule#node#0#5molecule#edge#0#0g_353molecule#node#0#5molecule#edge#0#0g_355molecule#node#0#5molecule#edge#0#0g_356molecule#node#0#5molecule#edge#0#0g_357molecule#node#0#5molecule#edge#0#0g_358molecule#node#0#34molecule#edge#0#0g_... |
10,022,508 | B(C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)I)(O)O | This is a description of a molecule: The molecule is a member of chalcones. Generate this molecule graph between <graph> </graph>: | <graph>g_269molecule#node#0#5molecule#edge#0g_270molecule#node#0#5molecule#edge#0#0g_271molecule#node#0#5molecule#edge#0#1g_272molecule#node#0#5molecule#edge#0#0g_273molecule#node#0#5molecule#edge#0#0g_274molecule#node#0#5molecule#edge#0#3g_275molecule#node#0#5molecule#edge#0#3g_276molecule#node#0#5molecule#edge#0#3g_2... |
10,022,698 | C/C(=C/C[C@H]([C@@](C)(CCl)Br)O)/C(=C/Br)/Cl | This is a description of a molecule: The molecule is a natural product found in Plocamium cartilagineum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_293molecule#node#0#5molecule#edge#0g_294molecule#node#0#5molecule#edge#0#0g_295molecule#node#0#5molecule#edge#0#0g_296molecule#node#0#5molecule#edge#0#0g_297molecule#node#0#5molecule#edge#0#0g_298molecule#node#0#5molecule#edge#0#1g_299molecule#node#0#5molecule#edge#0#0g_298molecule#node#0#5molecule#edge#0#0g_3... |
100,227 | COC1=CC(=O)C(=CC1=CC=CC2=CC=CC=C2)O | This is a description of a molecule: The molecule is a natural product found in Dalbergia retusa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_276molecule#node#0#5molecule#edge#0g_277molecule#node#0#5molecule#edge#0#3g_278molecule#node#0#5molecule#edge#0#0g_279molecule#node#0#5molecule#edge#0#1g_280molecule#node#0#5molecule#edge#0#0g_281molecule#node#0#5molecule#edge#0#1g_282molecule#node#0#5molecule#edge#0#0g_283molecule#node#0#7molecule#edge#0#0g_2... |
10,023,075 | C[C@@](/C=C/Br)([C@H](/C=C/C(=C\Cl)/C(Cl)Cl)Cl)Cl | This is a description of a molecule: The molecule is a natural product found in Aplysia dactylomela and Plocamium cartilagineum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_197molecule#node#0#5molecule#edge#0g_198molecule#node#0#5molecule#edge#0#0g_199molecule#node#0#5molecule#edge#0#0g_198molecule#node#0#5molecule#edge#0#0g_200molecule#node#0#5molecule#edge#0#0g_201molecule#node#0#5molecule#edge#0#0g_202molecule#node#0#5molecule#edge#0#1g_203molecule#node#0#5molecule#edge#0#0g_2... |
100,242 | CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)O | This is a description of a molecule: The molecule is a natural product found in Digitalis purpurea with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_87molecule#node#0#7molecule#edge#0g_88molecule#node#0#5molecule#edge#0#1g_89molecule#node#0#5molecule#edge#0#0g_90molecule#node#0#5molecule#edge#0#3g_91molecule#node#0#7molecule#edge#0#0g_90molecule#node#0#5molecule#edge#0#0g_92molecule#node#0#5molecule#edge#0#3g_93molecule#node#0#5molecule#edge#0#3g_94molecul... |
100,243 | CC(=O)C1=CNC=C1CO | This is a description of a molecule: The molecule is a natural product found in Albifimbria verrucaria with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_487molecule#node#0#6molecule#edge#0g_488molecule#node#0#5molecule#edge#0#3g_489molecule#node#0#5molecule#edge#0#3g_490molecule#node#0#5molecule#edge#0#0g_491molecule#node#0#5molecule#edge#0#0g_490molecule#node#0#5molecule#edge#0#0g_492molecule#node#0#7molecule#edge#0#1g_490molecule#node#0#5molecule#edge#0#1g_4... |
10,026 | CCCCCON=O | This is a description of a molecule: Amyl nitrite appears as a clear colorless to yellowish liquid with a fragrant, fruity odor and pungent aromatic taste. Flash point below 73 °F. Boiling point 205-210 °F (96-99 °C). Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Prod... | <graph>g_24molecule#node#0#7molecule#edge#0g_25molecule#node#0#5molecule#edge#0#0g_26molecule#node#0#5molecule#edge#0#0g_27molecule#node#0#5molecule#edge#0#0g_28molecule#node#0#5molecule#edge#0#0g_29molecule#node#0#5molecule#edge#0#0g_28molecule#node#0#5molecule#edge#0#0g_27molecule#node#0#5molecule#edge#0#0g_26molecul... |
100,302 | C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1[C@@H]4[C@H]([C@@H]3O)O4)C)C(=C)C(=O)O2 | This is a description of a molecule: The molecule is a natural product found in Helenium amarum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_405molecule#node#0#7molecule#edge#0g_406molecule#node#0#5molecule#edge#0#0g_407molecule#node#0#5molecule#edge#0#0g_408molecule#node#0#5molecule#edge#0#0g_409molecule#node#0#5molecule#edge#0#0g_410molecule#node#0#5molecule#edge#0#0g_409molecule#node#0#5molecule#edge#0#0g_411molecule#node#0#5molecule#edge#0#0g_4... |
100,307 | COC1=C([C@H]([C@](C=C1Br)(CC#N)O)O)Br | This is a description of a molecule: The molecule is a natural product found in Pseudoceratina durissima, Aplysina cauliformis, and Aplysina caissara with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_370molecule#node#0#7molecule#edge#0g_371molecule#node#0#5molecule#edge#0#0g_372molecule#node#0#5molecule#edge#0#0g_373molecule#node#0#34molecule#edge#0#0g_372molecule#node#0#5molecule#edge#0#0g_374molecule#node#0#5molecule#edge#0#1g_375molecule#node#0#7molecule#edge#0#0g_376molecule#node#0#5molecule#edge#0#0g_... |
100,309 | CC1=C2C(=NC(=N2)NC)C3=C(C=C1)NC(=N3)N(C)C | This is a description of a molecule: The molecule is a natural product found in Epizoanthus, Parazoanthus, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_179molecule#node#0#5molecule#edge#0g_180molecule#node#0#5molecule#edge#0#3g_181molecule#node#0#5molecule#edge#0#3g_182molecule#node#0#5molecule#edge#0#0g_181molecule#node#0#5molecule#edge#0#0g_183molecule#node#0#6molecule#edge#0#3g_184molecule#node#0#5molecule#edge#0#3g_185molecule#node#0#6molecule#edge#0#0g_1... |
100,321 | C=CC(=O)NCC(=O)O | This is a description of a molecule: The molecule is a N-acyl-amino acid. Generate this molecule graph between <graph> </graph>: | <graph>g_166molecule#node#0#7molecule#edge#0g_167molecule#node#0#5molecule#edge#0#0g_168molecule#node#0#5molecule#edge#0#0g_169molecule#node#0#6molecule#edge#0#0g_170molecule#node#0#5molecule#edge#0#0g_171molecule#node#0#5molecule#edge#0#0g_172molecule#node#0#5molecule#edge#0#1g_171molecule#node#0#5molecule#edge#0#1g_1... |
100,323 | CCOC(=O)CC1(C=CC(=O)C=C1)O | This is a description of a molecule: The molecule is a natural product found in Jacobaea cannabifolia with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_66molecule#node#0#7molecule#edge#0g_67molecule#node#0#5molecule#edge#0#1g_68molecule#node#0#5molecule#edge#0#0g_69molecule#node#0#5molecule#edge#0#1g_70molecule#node#0#5molecule#edge#0#0g_71molecule#node#0#5molecule#edge#0#0g_72molecule#node#0#5molecule#edge#0#0g_73molecule#node#0#7molecule#edge#0#0g_74molecul... |
100,324 | C1=C(C(=O)C(=CC1(CC(=O)N)O)Br)Br | This is a description of a molecule: The molecule is a natural product found in Pseudoceratina durissima, Pseudoceratina purpurea, and Aplysina aerophoba with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_373molecule#node#0#34molecule#edge#0g_374molecule#node#0#5molecule#edge#0#0g_375molecule#node#0#5molecule#edge#0#0g_376molecule#node#0#7molecule#edge#0#1g_375molecule#node#0#5molecule#edge#0#1g_377molecule#node#0#5molecule#edge#0#0g_378molecule#node#0#34molecule#edge#0#0g_377molecule#node#0#5molecule#edge#0#0g... |
100,332 | C[C@@]12C[C@H](CC(C1=CC(=O)O2)(C)C)O | This is a description of a molecule: The molecule is a member of benzofurans. It has a role as a metabolite.
The molecule is a natural product found in Xanthium spinosum, Sida acuta, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_187molecule#node#0#5molecule#edge#0g_188molecule#node#0#5molecule#edge#0#0g_189molecule#node#0#5molecule#edge#0#1g_190molecule#node#0#5molecule#edge#0#0g_191molecule#node#0#5molecule#edge#0#0g_190molecule#node#0#5molecule#edge#0#0g_192molecule#node#0#5molecule#edge#0#0g_193molecule#node#0#5molecule#edge#0#0g_1... |
100,341 | C1=CC2=CC(=O)O[C@@H]2[C@H]([C@@H]1O)O | This is a description of a molecule: The molecule is a natural product found in Semiaquilegia adoxoides and Piliostigma thonningii with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_29molecule#node#0#5molecule#edge#0g_30molecule#node#0#5molecule#edge#0#1g_31molecule#node#0#5molecule#edge#0#0g_32molecule#node#0#5molecule#edge#0#1g_33molecule#node#0#5molecule#edge#0#0g_34molecule#node#0#7molecule#edge#0#0g_33molecule#node#0#5molecule#edge#0#0g_35molecule#node#0#5molecule#edge#0#0g_36molecul... |
10,034,684 | C1CNC2=C1C=C(C=C2)O | This is a description of a molecule: The molecule is a natural product found in Phoebe chekiangensis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_26molecule#node#0#5molecule#edge#0g_27molecule#node#0#5molecule#edge#0#0g_28molecule#node#0#6molecule#edge#0#0g_29molecule#node#0#5molecule#edge#0#0g_30molecule#node#0#5molecule#edge#0#3g_29molecule#node#0#5molecule#edge#0#3g_31molecule#node#0#5molecule#edge#0#3g_32molecule#node#0#5molecule#edge#0#3g_33molecul... |
10,034,839 | COC1=CC(=O)OC(=C1)CO | This is a description of a molecule: The molecule is a natural product found in Opuntia elatior with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_372molecule#node#0#5molecule#edge#0g_373molecule#node#0#7molecule#edge#0#0g_374molecule#node#0#5molecule#edge#0#0g_373molecule#node#0#7molecule#edge#0#0g_372molecule#node#0#5molecule#edge#0#0g_375molecule#node#0#5molecule#edge#0#3g_376molecule#node#0#5molecule#edge#0#3g_377molecule#node#0#7molecule#edge#0#1g_3... |
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