CID int64 1 167M | SMILES stringlengths 2 1.71k | description stringlengths 110 8.95k | sequence stringlengths 89 35.1k |
|---|---|---|---|
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_... |
10,000,009 | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)CO)O)O | This is a description of a molecule: The molecule is a N-acyl-hexosamine. Generate this molecule graph between <graph> </graph>: | <graph>g_207molecule#node#0#5molecule#edge#0g_208molecule#node#0#5molecule#edge#0#0g_209molecule#node#0#7molecule#edge#0#0g_210molecule#node#0#5molecule#edge#0#0g_211molecule#node#0#5molecule#edge#0#0g_212molecule#node#0#6molecule#edge#0#0g_213molecule#node#0#5molecule#edge#0#0g_214molecule#node#0#5molecule#edge#0#0g_2... |
10,000,015 | CC(=O)N[C@H]1CCC2=CC3=C(C(=C2C4=CC=C(C(=O)C=C14)OC)OC)OCO3 | This is a description of a molecule: The molecule is a natural product found in Colchicum kurdicum, Colchicum ritchii, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_287molecule#node#0#6molecule#edge#0g_288molecule#node#0#5molecule#edge#0#0g_289molecule#node#0#5molecule#edge#0#0g_288molecule#node#0#5molecule#edge#0#0g_290molecule#node#0#7molecule#edge#0#1g_288molecule#node#0#5molecule#edge#0#1g_287molecule#node#0#6molecule#edge#0#0g_291molecule#node#0#5molecule#edge#0#0g_2... |
10,000,052 | COC1=CC(=O)[C@@]2([C@H]1O)[C@H](C[C@@]34[C@@]2(CCN3)CC(=O)C(=C4OC)OC)Cl | This is a description of a molecule: The molecule is a natural product found in Hypserpa nitida and Menispermum dauricum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_184molecule#node#0#5molecule#edge#0g_185molecule#node#0#5molecule#edge#0#0g_186molecule#node#0#5molecule#edge#0#0g_187molecule#node#0#16molecule#edge#0#0g_186molecule#node#0#5molecule#edge#0#0g_188molecule#node#0#5molecule#edge#0#0g_189molecule#node#0#5molecule#edge#0#0g_190molecule#node#0#7molecule#edge#0#1g_... |
10,000,195 | [B-](F)(F)(F)F.CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)C2=CC=C(C=C2)OC | This is a description of a molecule: The molecule is a member of methoxybenzenes. Generate this molecule graph between <graph> </graph>: | <graph>g_455molecule#node#0#7molecule#edge#0g_456molecule#node#0#5molecule#edge#0#0g_457molecule#node#0#5molecule#edge#0#3g_458molecule#node#0#5molecule#edge#0#3g_459molecule#node#0#5molecule#edge#0#3g_460molecule#node#0#5molecule#edge#0#0g_461molecule#node#0#5molecule#edge#0#3g_462molecule#node#0#5molecule#edge#0#3g_4... |
100,002 | CC(C)C1C23C(O2)C4C5C(C3=CC(=O)O1)(CCCC5(C(=O)O4)C)C | This is a description of a molecule: The molecule is a natural product found in Podocarpus and Podocarpus milanjianus 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_345molecule#node#0#5molecule#edge#0#0g_346molecule#node#0#5molecule#edge#0#0g_347molecule#node#0#5molecule#edge#0#0g_348molecule#node#0#5molecule#edge#0#0g_3... |
100,004 | CCC1C2CCN3C1C4(CC3)C5=CC=CC=C5NC4=C2C(=O)OC | This is a description of a molecule: The molecule is a natural product found in Aspidosperma pyrifolium, Tabernaemontana siphilitica, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_364molecule#node#0#5molecule#edge#0g_365molecule#node#0#5molecule#edge#0#0g_366molecule#node#0#5molecule#edge#0#0g_365molecule#node#0#5molecule#edge#0#0g_364molecule#node#0#5molecule#edge#0#0g_367molecule#node#0#5molecule#edge#0#0g_368molecule#node#0#5molecule#edge#0#0g_369molecule#node#0#5molecule#edge#0#0g_3... |
10,000,451 | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O)O | This is a description of a molecule: The molecule is a natural product found in Maclurodendron porteri with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_126molecule#node#0#5molecule#edge#0g_127molecule#node#0#7molecule#edge#0#0g_128molecule#node#0#5molecule#edge#0#0g_129molecule#node#0#5molecule#edge#0#3g_130molecule#node#0#7molecule#edge#0#0g_131molecule#node#0#5molecule#edge#0#0g_130molecule#node#0#7molecule#edge#0#0g_129molecule#node#0#5molecule#edge#0#0g_1... |
10,000,456 | C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F | This is a description of a molecule: The molecule is a benzoxazine. Generate this molecule graph between <graph> </graph>: | <graph>g_9molecule#node#0#5molecule#edge#0g_10molecule#node#0#5molecule#edge#0#3g_11molecule#node#0#5molecule#edge#0#0g_12molecule#node#0#5molecule#edge#0#0g_13molecule#node#0#5molecule#edge#0#0g_14molecule#node#0#6molecule#edge#0#0g_15molecule#node#0#5molecule#edge#0#0g_16molecule#node#0#5molecule#edge#0#0g_17molecule... |
10,000,469 | CC(=O)O[C@H]1C[C@@H]2[C@@H]3[C@](O3)([C@@H](C[C@H]4[C@](C1=O)(CCCC4(C)C)C)O)C(=O)C2=C | This is a description of a molecule: The molecule is a natural product found in Croton kongensis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_161molecule#node#0#7molecule#edge#0g_162molecule#node#0#5molecule#edge#0#0g_163molecule#node#0#5molecule#edge#0#0g_164molecule#node#0#5molecule#edge#0#0g_165molecule#node#0#5molecule#edge#0#0g_164molecule#node#0#5molecule#edge#0#0g_166molecule#node#0#7molecule#edge#0#0g_163molecule#node#0#5molecule#edge#0#0g_1... |
10,000,481 | CCC/C=C/[C@@H](C)[C@H]([C@H]1/C=C/[C@H]([C@H](/C=C/CCC(=C)[C@@H](CC(=O)O1)C)O)C)O | This is a description of a molecule: The molecule is a natural product found in Amphidinium with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_201molecule#node#0#5molecule#edge#0g_202molecule#node#0#5molecule#edge#0#0g_203molecule#node#0#5molecule#edge#0#0g_204molecule#node#0#5molecule#edge#0#0g_205molecule#node#0#5molecule#edge#0#0g_206molecule#node#0#5molecule#edge#0#1g_207molecule#node#0#5molecule#edge#0#0g_208molecule#node#0#5molecule#edge#0#0g_2... |
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... |
10,000,664 | C[C@@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=C(C=C(C4=C(C=C3)OC)O)C | This is a description of a molecule: The molecule is a natural product found in Ancistrocladus likoko with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_217molecule#node#0#5molecule#edge#0g_218molecule#node#0#5molecule#edge#0#3g_219molecule#node#0#5molecule#edge#0#3g_220molecule#node#0#5molecule#edge#0#3g_221molecule#node#0#5molecule#edge#0#0g_222molecule#node#0#5molecule#edge#0#3g_223molecule#node#0#5molecule#edge#0#0g_224molecule#node#0#5molecule#edge#0#0g_2... |
10,000,703 | COC1=CC2=CC3=C(COC3=O)C(=C2C=C1OC)C4=CC5=C(C=C4OC)OCO5 | This is a description of a molecule: The molecule is a natural product found in Justicia procumbens with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_199molecule#node#0#5molecule#edge#0g_200molecule#node#0#5molecule#edge#0#3g_201molecule#node#0#5molecule#edge#0#3g_202molecule#node#0#5molecule#edge#0#3g_203molecule#node#0#7molecule#edge#0#0g_204molecule#node#0#5molecule#edge#0#0g_203molecule#node#0#7molecule#edge#0#0g_202molecule#node#0#5molecule#edge#0#0g_2... |
10,000,783 | C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@H]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C1)/C | This is a description of a molecule: The molecule is a natural product found in Negombata magnifica with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_466molecule#node#0#5molecule#edge#0g_467molecule#node#0#5molecule#edge#0#0g_466molecule#node#0#5molecule#edge#0#0g_468molecule#node#0#5molecule#edge#0#0g_469molecule#node#0#5molecule#edge#0#0g_470molecule#node#0#5molecule#edge#0#0g_471molecule#node#0#5molecule#edge#0#0g_470molecule#node#0#5molecule#edge#0#0g_4... |
10,000,814 | CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C(=C)C)C | This is a description of a molecule: The molecule is a natural product found in Hypericum roeperianum and Hypericum perforatum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_56molecule#node#0#7molecule#edge#0g_57molecule#node#0#5molecule#edge#0#1g_58molecule#node#0#5molecule#edge#0#3g_59molecule#node#0#5molecule#edge#0#3g_60molecule#node#0#5molecule#edge#0#3g_61molecule#node#0#5molecule#edge#0#0g_62molecule#node#0#5molecule#edge#0#0g_63molecule#node#0#5molecule#edge#0#0g_64molecul... |
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... |
10,000,870 | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CCC(=O)O)N | This is a description of a molecule: The molecule is an oligopeptide. Generate this molecule graph between <graph> </graph>: | <graph>g_289molecule#node#0#5molecule#edge#0g_290molecule#node#0#5molecule#edge#0#0g_291molecule#node#0#6molecule#edge#0#0g_292molecule#node#0#5molecule#edge#0#0g_293molecule#node#0#5molecule#edge#0#0g_294molecule#node#0#5molecule#edge#0#0g_295molecule#node#0#5molecule#edge#0#0g_296molecule#node#0#5molecule#edge#0#0g_2... |
10,000,915 | CC1=C(C2=C(C(=C1O)C(=O)/C=C/C3=CC=CC=C3)OC(=O)C=C2C4=CC=CC=C4)O | This is a description of a molecule: The molecule is a natural product found in Cyclosorus interruptus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_351molecule#node#0#5molecule#edge#0g_352molecule#node#0#5molecule#edge#0#3g_353molecule#node#0#5molecule#edge#0#3g_354molecule#node#0#7molecule#edge#0#0g_353molecule#node#0#5molecule#edge#0#0g_355molecule#node#0#5molecule#edge#0#3g_356molecule#node#0#5molecule#edge#0#0g_355molecule#node#0#5molecule#edge#0#0g_3... |
10,001,072 | CCCCOC1=CC(=O)C(=C(C1=O)C/C=C(\C)/CC[C@]2(CCC[C@H](C2=C)C)C)O | This is a description of a molecule: The molecule is a natural product found in Dactylospongia metachromia with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_482molecule#node#0#5molecule#edge#0g_483molecule#node#0#5molecule#edge#0#0g_484molecule#node#0#5molecule#edge#0#0g_485molecule#node#0#5molecule#edge#0#0g_486molecule#node#0#7molecule#edge#0#0g_487molecule#node#0#5molecule#edge#0#0g_488molecule#node#0#5molecule#edge#0#1g_489molecule#node#0#5molecule#edge#0#0g_4... |
10,001,145 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC(C(C(=O)O)O)C(=O)O)O | This is a description of a molecule: The molecule is a member of isoflavones. Generate this molecule graph between <graph> </graph>: | <graph>g_180molecule#node#0#5molecule#edge#0g_181molecule#node#0#5molecule#edge#0#3g_182molecule#node#0#7molecule#edge#0#3g_183molecule#node#0#5molecule#edge#0#3g_184molecule#node#0#5molecule#edge#0#3g_185molecule#node#0#5molecule#edge#0#0g_186molecule#node#0#5molecule#edge#0#3g_187molecule#node#0#5molecule#edge#0#3g_1... |
10,001,150 | COC1=CC(=CC(=C1)O)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC(=C(C(=C4)OC)OC)O | This is a description of a molecule: The molecule is a lignan that is tetrahydro-1H,3H-furo[3,4-c]furan-1-one substituted by a 3-hydroxy-4,5-dimethoxyphenyl at position 3 and a 3-hydroxy-4,5-dimethoxyphenyl group at position 5. Isolated from the rhizomes of Imperata cylindrica, it exhibits vasodilative activity. It has... | <graph>g_225molecule#node#0#5molecule#edge#0g_226molecule#node#0#5molecule#edge#0#3g_227molecule#node#0#7molecule#edge#0#0g_228molecule#node#0#5molecule#edge#0#0g_227molecule#node#0#7molecule#edge#0#0g_226molecule#node#0#5molecule#edge#0#0g_229molecule#node#0#5molecule#edge#0#3g_230molecule#node#0#5molecule#edge#0#3g_2... |
10,001,183 | CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/C[C@@H]2C(=CC(=O)O2)CO)/CO)/C | This is a description of a molecule: The molecule is a diterpene lactone. It has a role as a metabolite.
The molecule is a natural product found in Hyrtios erectus and Hippospongia lachne with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_242molecule#node#0#5molecule#edge#0g_243molecule#node#0#5molecule#edge#0#0g_244molecule#node#0#5molecule#edge#0#0g_245molecule#node#0#5molecule#edge#0#0g_246molecule#node#0#5molecule#edge#0#0g_247molecule#node#0#5molecule#edge#0#0g_248molecule#node#0#5molecule#edge#0#1g_249molecule#node#0#5molecule#edge#0#0g_2... |
10,001,236 | C[C@@H]1CN([C@H]2[C@@H]1CC[C@@]3([C@]2(C4=CCC[C@@H]4CCC3=O)CCC(=O)OC)CO)C=O | This is a description of a molecule: The molecule is a natural product found in Daphniphyllum glaucescens with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_304molecule#node#0#5molecule#edge#0g_305molecule#node#0#5molecule#edge#0#0g_304molecule#node#0#5molecule#edge#0#0g_306molecule#node#0#5molecule#edge#0#0g_307molecule#node#0#6molecule#edge#0#0g_308molecule#node#0#5molecule#edge#0#0g_309molecule#node#0#7molecule#edge#0#1g_308molecule#node#0#5molecule#edge#0#1g_3... |
10,001,337 | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)[C@H](NC3(C)C)C4=CC=C(C=C4)O)C(=O)O)C | This is a description of a molecule: The molecule is a penicillin antibiotic with antibacterial activity. Oxetacillin binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains neces... | <graph>g_19molecule#node#0#5molecule#edge#0g_20molecule#node#0#5molecule#edge#0#3g_21molecule#node#0#5molecule#edge#0#3g_22molecule#node#0#5molecule#edge#0#3g_23molecule#node#0#5molecule#edge#0#0g_24molecule#node#0#5molecule#edge#0#0g_25molecule#node#0#7molecule#edge#0#1g_24molecule#node#0#5molecule#edge#0#1g_26molecul... |
10,001,388 | CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)C | This is a description of a molecule: The molecule is a member of isoflavanones.
The molecule is a natural product found in Ulex airensis, Sophora tetraptera, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_389molecule#node#0#5molecule#edge#0g_390molecule#node#0#5molecule#edge#0#1g_391molecule#node#0#5molecule#edge#0#0g_392molecule#node#0#5molecule#edge#0#0g_393molecule#node#0#5molecule#edge#0#3g_394molecule#node#0#7molecule#edge#0#0g_393molecule#node#0#5molecule#edge#0#0g_395molecule#node#0#5molecule#edge#0#3g_3... |
10,001,484 | CC(=CCC1=C2C(=CC(=C1OC)O)C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)C | This is a description of a molecule: The molecule is a natural product found in Tovomita brevistaminea and Tovomita mangle with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_384molecule#node#0#5molecule#edge#0g_385molecule#node#0#5molecule#edge#0#1g_386molecule#node#0#5molecule#edge#0#0g_385molecule#node#0#5molecule#edge#0#0g_387molecule#node#0#5molecule#edge#0#0g_385molecule#node#0#5molecule#edge#0#0g_384molecule#node#0#5molecule#edge#0#1g_388molecule#node#0#5molecule#edge#0#0g_3... |
10,001,497 | CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OCC(C2=O)C3=C(C=C(C=C3)O)O)C | This is a description of a molecule: The molecule is a member of isoflavanones.
The molecule is a natural product found in Erythrina suberosa, Erythrina sigmoidea, and Erythrina variegata with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_473molecule#node#0#5molecule#edge#0g_474molecule#node#0#5molecule#edge#0#0g_475molecule#node#0#5molecule#edge#0#3g_476molecule#node#0#5molecule#edge#0#3g_477molecule#node#0#5molecule#edge#0#0g_478molecule#node#0#5molecule#edge#0#0g_479molecule#node#0#5molecule#edge#0#1g_480molecule#node#0#5molecule#edge#0#0g_4... |
10,001,595 | CC(C)C1=CC(=O)C(=CC=C1/C=C/C(C)(C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | This is a description of a molecule: The molecule is a natural product found in Cupressus sempervirens with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_171molecule#node#0#5molecule#edge#0g_172molecule#node#0#5molecule#edge#0#0g_173molecule#node#0#5molecule#edge#0#0g_172molecule#node#0#5molecule#edge#0#0g_174molecule#node#0#5molecule#edge#0#0g_172molecule#node#0#5molecule#edge#0#0g_171molecule#node#0#5molecule#edge#0#0g_175molecule#node#0#5molecule#edge#0#3g_1... |
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... |
10,001,602 | CC(=O)O[C@@H]1[C@@H]([C@@]2([C@](C(=O)C[C@](O2)(C)C=C)([C@@]3(C1C(CC[C@@H]3O)(C)C)C)O)C)O | This is a description of a molecule: The molecule is a natural product found in Plectranthus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_182molecule#node#0#5molecule#edge#0g_183molecule#node#0#5molecule#edge#0#0g_184molecule#node#0#5molecule#edge#0#0g_185molecule#node#0#7molecule#edge#0#0g_184molecule#node#0#5molecule#edge#0#0g_186molecule#node#0#5molecule#edge#0#0g_187molecule#node#0#7molecule#edge#0#0g_188molecule#node#0#5molecule#edge#0#0g_1... |
10,001,604 | CC(=CCC1=CC(=C(C=C1O)O)C(=O)[C@@H](CC2=CC(=C(C=C2)O)CC=C(C)C)O)C | This is a description of a molecule: The molecule is a natural product found in Glycyrrhiza glabra with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_334molecule#node#0#5molecule#edge#0g_335molecule#node#0#5molecule#edge#0#3g_336molecule#node#0#5molecule#edge#0#3g_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#3g_3... |
100,017 | CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C | This is a description of a molecule: The molecule is a natural product found in Azadirachta indica and Azadirachta excelsa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_204molecule#node#0#5molecule#edge#0g_205molecule#node#0#5molecule#edge#0#0g_206molecule#node#0#5molecule#edge#0#0g_207molecule#node#0#5molecule#edge#0#0g_208molecule#node#0#5molecule#edge#0#0g_209molecule#node#0#5molecule#edge#0#0g_210molecule#node#0#7molecule#edge#0#1g_209molecule#node#0#5molecule#edge#0#1g_2... |
10,001,751 | C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)N(C)C)C)C)N(C)C | This is a description of a molecule: The molecule is a natural product found in Buxus papillosa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_362molecule#node#0#5molecule#edge#0g_363molecule#node#0#5molecule#edge#0#1g_364molecule#node#0#5molecule#edge#0#0g_365molecule#node#0#5molecule#edge#0#0g_366molecule#node#0#5molecule#edge#0#0g_367molecule#node#0#5molecule#edge#0#0g_368molecule#node#0#5molecule#edge#0#0g_369molecule#node#0#5molecule#edge#0#0g_3... |
10,001,991 | C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C | This is a description of a molecule: The molecule is a cholestanoid that is (25S)-cholest-5-en-26-oic acid bearing a 3beta-hydroxy substituent. It is a conjugate acid of a (25S)-cholestenoate. Generate this molecule graph between <graph> </graph>: | <graph>g_237molecule#node#0#5molecule#edge#0g_238molecule#node#0#5molecule#edge#0#0g_239molecule#node#0#5molecule#edge#0#0g_240molecule#node#0#5molecule#edge#0#0g_241molecule#node#0#5molecule#edge#0#0g_242molecule#node#0#5molecule#edge#0#0g_243molecule#node#0#5molecule#edge#0#0g_242molecule#node#0#5molecule#edge#0#0g_2... |
100,020 | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)O)OC | This is a description of a molecule: The molecule is a natural product found in Thalictrum fendleri, Thalictrum ichangense, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_406molecule#node#0#7molecule#edge#0g_407molecule#node#0#5molecule#edge#0#0g_408molecule#node#0#5molecule#edge#0#3g_409molecule#node#0#7molecule#edge#0#0g_410molecule#node#0#5molecule#edge#0#0g_409molecule#node#0#7molecule#edge#0#0g_408molecule#node#0#5molecule#edge#0#0g_411molecule#node#0#5molecule#edge#0#3g_4... |
10,002,084 | C1=CC(=CC=C1/C=C\C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)O)O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Breynia vitis-idaea, Viburnum wrightii, and Breynia officinalis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_13molecule#node#0#5molecule#edge#0g_14molecule#node#0#5molecule#edge#0#3g_15molecule#node#0#7molecule#edge#0#0g_16molecule#node#0#5molecule#edge#0#0g_17molecule#node#0#5molecule#edge#0#0g_18molecule#node#0#7molecule#edge#0#0g_17molecule#node#0#5molecule#edge#0#0g_19molecule#node#0#5molecule#edge#0#0g_20molecul... |
100,021 | CC12CC(OC(=O)C1CC(=O)C3C2CC4CC3C(=O)O4)C5=COC=C5 | This is a description of a molecule: The molecule is an organic heterotricyclic compound and an organooxygen compound. Generate this molecule graph between <graph> </graph>: | <graph>g_116molecule#node#0#5molecule#edge#0g_117molecule#node#0#7molecule#edge#0#0g_118molecule#node#0#5molecule#edge#0#0g_119molecule#node#0#5molecule#edge#0#0g_120molecule#node#0#5molecule#edge#0#3g_121molecule#node#0#7molecule#edge#0#3g_122molecule#node#0#5molecule#edge#0#3g_123molecule#node#0#5molecule#edge#0#3g_1... |
10,002,166 | C[C@H]1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=C(C=C(C4=C(C=C3)OC)OC)C | This is a description of a molecule: The molecule is an isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 4,5-dimethoxy-7-methylnaphthalen-1-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishma... | <graph>g_48molecule#node#0#7molecule#edge#0g_49molecule#node#0#5molecule#edge#0#0g_50molecule#node#0#5molecule#edge#0#3g_51molecule#node#0#5molecule#edge#0#0g_52molecule#node#0#5molecule#edge#0#3g_53molecule#node#0#5molecule#edge#0#3g_54molecule#node#0#5molecule#edge#0#3g_55molecule#node#0#5molecule#edge#0#0g_54molecul... |
10,002,202 | C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)C3=CC=CC=C3)C(=O)[C@]4([C@H](C[C@@H](C[C@H]4O2)C(=O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Phyllanthus emblica with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_476molecule#node#0#5molecule#edge#0g_477molecule#node#0#5molecule#edge#0#0g_478molecule#node#0#5molecule#edge#0#0g_479molecule#node#0#7molecule#edge#0#1g_478molecule#node#0#5molecule#edge#0#1g_480molecule#node#0#7molecule#edge#0#0g_478molecule#node#0#5molecule#edge#0#0g_477molecule#node#0#5molecule#edge#0#0g_4... |
10,002,209 | C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@@]2(CC[C@@](O2)(/C=C/3\C1=C(C(=O)O3)COC(=O)C)C)O)C | This is a description of a molecule: The molecule is a natural product found in Vernonanthura pinguis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_146molecule#node#0#5molecule#edge#0g_147molecule#node#0#5molecule#edge#0#1g_148molecule#node#0#5molecule#edge#0#0g_149molecule#node#0#5molecule#edge#0#0g_150molecule#node#0#5molecule#edge#0#0g_151molecule#node#0#5molecule#edge#0#0g_152molecule#node#0#7molecule#edge#0#0g_151molecule#node#0#5molecule#edge#0#0g_1... |
100,023 | CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCO)CO)C(=C)C(=O)O2)C)OC(=O)C | This is a description of a molecule: The molecule is a natural product found in Eupatorium cannabinum, Eupatorium formosanum, and Eupatorium fortunei with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_385molecule#node#0#5molecule#edge#0g_386molecule#node#0#5molecule#edge#0#0g_387molecule#node#0#7molecule#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#5molecule#edge#0#1g_392molecule#node#0#5molecule#edge#0#0g_3... |
10,002,322 | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)[C@]3(C(=O)C=C([C@@]3(C(=O)OC)O)OC)O)O | This is a description of a molecule: The molecule is a natural product found in Chrysosplenium grayanum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_81molecule#node#0#5molecule#edge#0g_82molecule#node#0#7molecule#edge#0#3g_83molecule#node#0#5molecule#edge#0#3g_84molecule#node#0#5molecule#edge#0#3g_85molecule#node#0#5molecule#edge#0#3g_86molecule#node#0#7molecule#edge#0#0g_85molecule#node#0#5molecule#edge#0#0g_87molecule#node#0#5molecule#edge#0#3g_88molecul... |
10,002,343 | COC1=CC(=CC(=C1O)OC)C[C@@H](CO)[C@@H](CC2=CC(=C(C(=C2)OC)O)OC)CO | This is a description of a molecule: The molecule is a natural product found in Santalum album with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_360molecule#node#0#5molecule#edge#0g_361molecule#node#0#5molecule#edge#0#3g_362molecule#node#0#7molecule#edge#0#0g_361molecule#node#0#5molecule#edge#0#0g_363molecule#node#0#5molecule#edge#0#3g_364molecule#node#0#7molecule#edge#0#0g_365molecule#node#0#5molecule#edge#0#0g_364molecule#node#0#7molecule#edge#0#0g_3... |
10,002,345 | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC(=C(C=C3O)O)C(C)(C)C=C)C | This is a description of a molecule: The molecule is a natural product found in Dalea scandens with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_167molecule#node#0#7molecule#edge#0g_168molecule#node#0#5molecule#edge#0#1g_169molecule#node#0#5molecule#edge#0#3g_170molecule#node#0#5molecule#edge#0#3g_171molecule#node#0#5molecule#edge#0#3g_172molecule#node#0#5molecule#edge#0#0g_173molecule#node#0#5molecule#edge#0#0g_174molecule#node#0#5molecule#edge#0#1g_1... |
10,002,448 | CC(=O)OC1=C(C2=C(C(=C1C3=CC=C(C=C3)O)O)OC4=CC(=C(C=C42)O)O)OC(=O)C | This is a description of a molecule: The molecule is a natural product found in Sarcodon scabrosus, Boletopsis, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_94molecule#node#0#5molecule#edge#0g_95molecule#node#0#7molecule#edge#0#0g_96molecule#node#0#5molecule#edge#0#0g_97molecule#node#0#5molecule#edge#0#0g_96molecule#node#0#5molecule#edge#0#0g_98molecule#node#0#7molecule#edge#0#1g_96molecule#node#0#5molecule#edge#0#1g_95molecule#node#0#7molecule#edge#0#0g_94molecul... |
10,002,487 | C[C@@H]([C@H]1CC[C@](OO1)(C)CC/C=C(\C)/CCC(=O)C(C)(C)CCCC(=O)C)C(=O)O | This is a description of a molecule: The molecule is a natural product found in Diacarnus erythraeanus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_439molecule#node#0#5molecule#edge#0g_440molecule#node#0#5molecule#edge#0#0g_441molecule#node#0#5molecule#edge#0#0g_442molecule#node#0#5molecule#edge#0#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#5molecule#edge#0#1g_4... |
10,002,525 | C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O | This is a description of a molecule: The molecule is an oligopeptide. Generate this molecule graph between <graph> </graph>: | <graph>g_433molecule#node#0#5molecule#edge#0g_434molecule#node#0#5molecule#edge#0#0g_435molecule#node#0#5molecule#edge#0#0g_436molecule#node#0#6molecule#edge#0#0g_437molecule#node#0#5molecule#edge#0#0g_438molecule#node#0#5molecule#edge#0#0g_439molecule#node#0#5molecule#edge#0#0g_440molecule#node#0#5molecule#edge#0#0g_4... |
100,026 | CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C | This is a description of a molecule: The molecule is a steroid lactone.
The molecule is a natural product found in Citrus maxima with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_303molecule#node#0#5molecule#edge#0g_304molecule#node#0#5molecule#edge#0#0g_305molecule#node#0#7molecule#edge#0#1g_304molecule#node#0#5molecule#edge#0#1g_306molecule#node#0#7molecule#edge#0#0g_307molecule#node#0#5molecule#edge#0#0g_308molecule#node#0#5molecule#edge#0#0g_309molecule#node#0#5molecule#edge#0#0g_3... |
100,027 | CC1(C2CC(C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)O)C | This is a description of a molecule: The molecule is a natural product found in Citrus medica and Citrus medica var. sarcodactylis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_91molecule#node#0#5molecule#edge#0g_92molecule#node#0#5molecule#edge#0#0g_91molecule#node#0#5molecule#edge#0#0g_93molecule#node#0#5molecule#edge#0#0g_94molecule#node#0#5molecule#edge#0#0g_95molecule#node#0#5molecule#edge#0#0g_96molecule#node#0#7molecule#edge#0#0g_95molecule#node#0#5molecule#edge#0#0g_97molecul... |
10,002,736 | C1CC1CN2CC[C@]34[C@@H]5C(=O)/C(=C\C6=CC=CC=C6)/C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O | This is a description of a molecule: The molecule is a member of phenanthrenes. Generate this molecule graph between <graph> </graph>: | <graph>g_420molecule#node#0#5molecule#edge#0g_421molecule#node#0#5molecule#edge#0#1g_422molecule#node#0#5molecule#edge#0#0g_423molecule#node#0#7molecule#edge#0#1g_422molecule#node#0#5molecule#edge#0#1g_424molecule#node#0#5molecule#edge#0#0g_425molecule#node#0#5molecule#edge#0#0g_426molecule#node#0#5molecule#edge#0#0g_4... |
10,002,902 | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H](C(=O)O)[C@](CC2=CC=C(C=C2)O)(C(=O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Actaea dahurica, Actaea racemosa, and Actaea simplex with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_468molecule#node#0#5molecule#edge#0g_469molecule#node#0#5molecule#edge#0#3g_470molecule#node#0#5molecule#edge#0#3g_471molecule#node#0#5molecule#edge#0#0g_472molecule#node#0#5molecule#edge#0#0g_473molecule#node#0#5molecule#edge#0#0g_474molecule#node#0#7molecule#edge#0#0g_475molecule#node#0#5molecule#edge#0#0g_4... |
10,003,020 | COC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@](CO3)(CO)O)O)O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Atractylodes japonica, Bretschneidera sinensis, and other organisms 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#7molecule#edge#0#0g_322molecule#node#0#5molecule#edge#0#0g_324molecule#node#0#5molecule#edge#0#0g_325molecule#node#0#7molecule#edge#0#0g_324molecule#node#0#5molecule#edge#0#0g_3... |
10,003,029 | CC(=O)C1=C(C=CC(=C1CCC2=CC=C(C=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Scorzonera humilis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_206molecule#node#0#5molecule#edge#0g_207molecule#node#0#5molecule#edge#0#3g_208molecule#node#0#5molecule#edge#0#0g_209molecule#node#0#5molecule#edge#0#0g_208molecule#node#0#5molecule#edge#0#0g_210molecule#node#0#7molecule#edge#0#1g_208molecule#node#0#5molecule#edge#0#1g_207molecule#node#0#5molecule#edge#0#0g_2... |
10,003,044 | C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O)O | This is a description of a molecule: The molecule is a natural product found in Rhinella marina with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_265molecule#node#0#7molecule#edge#0g_266molecule#node#0#5molecule#edge#0#1g_267molecule#node#0#7molecule#edge#0#3g_268molecule#node#0#5molecule#edge#0#3g_269molecule#node#0#5molecule#edge#0#3g_270molecule#node#0#5molecule#edge#0#0g_271molecule#node#0#5molecule#edge#0#0g_272molecule#node#0#5molecule#edge#0#0g_2... |
10,003,218 | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)OC)O)COC | This is a description of a molecule: The molecule is a diterpene alkaloid with formula C24H39NO6 that is isolated from several Aconitum species. It has a role as a plant metabolite. It is a bridged compound, a polyether, a diterpene alkaloid, a secondary alcohol, an organic heteropolycyclic compound, a tertiary alcohol... | <graph>g_437molecule#node#0#5molecule#edge#0g_438molecule#node#0#5molecule#edge#0#0g_439molecule#node#0#5molecule#edge#0#0g_440molecule#node#0#5molecule#edge#0#0g_441molecule#node#0#5molecule#edge#0#0g_442molecule#node#0#6molecule#edge#0#0g_443molecule#node#0#5molecule#edge#0#0g_444molecule#node#0#5molecule#edge#0#0g_4... |
10,003,399 | C[C@]12CC[C@@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)C=C[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C)(C)CO | This is a description of a molecule: The molecule is a natural product found in Benincasa hispida, Citrullus lanatus, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_292molecule#node#0#5molecule#edge#0g_293molecule#node#0#5molecule#edge#0#0g_294molecule#node#0#5molecule#edge#0#0g_295molecule#node#0#5molecule#edge#0#0g_296molecule#node#0#5molecule#edge#0#0g_295molecule#node#0#5molecule#edge#0#0g_297molecule#node#0#5molecule#edge#0#0g_298molecule#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... |
10,003,501 | C[C@]1(CC[C@@H]([C@@H]2[C@@H]1CC[C@@]([C@@H]2NC=O)(C)O)[C@]3(CC[C@@H](C(O3)(C)C)Cl)C)N=C=S | This is a description of a molecule: The molecule is a natural product found in Acanthella cavernosa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_258molecule#node#0#15molecule#edge#0g_259molecule#node#0#5molecule#edge#0#1g_260molecule#node#0#6molecule#edge#0#1g_261molecule#node#0#5molecule#edge#0#0g_262molecule#node#0#5molecule#edge#0#0g_261molecule#node#0#5molecule#edge#0#0g_263molecule#node#0#5molecule#edge#0#0g_264molecule#node#0#5molecule#edge#0#0g_... |
10,003,508 | CNCC(=O)NC(CO)C(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)N)N2C=CC(=NC2=O)N)O)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_506molecule#node#0#7molecule#edge#0g_507molecule#node#0#5molecule#edge#0#1g_508molecule#node#0#5molecule#edge#0#0g_509molecule#node#0#6molecule#edge#0#0g_510molecule#node#0#5molecule#edge#0#0g_509molecule#node#0#6molecule#edge#0#0g_508molecule#node#0#5molecule#edge#0#0g_507molecule#node#0#5molecule#edge#0#0g_5... |
10,003,515 | C[C@H]1C(=O)N2[C@H](N1)[C@]3(C[C@@H]4C(=O)N[C@](O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72 | This is a description of a molecule: The molecule is a natural product found in Aspergillus fumigatus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_6molecule#node#0#5molecule#edge#0g_7molecule#node#0#5molecule#edge#0#0g_8molecule#node#0#5molecule#edge#0#0g_9molecule#node#0#7molecule#edge#0#1g_8molecule#node#0#5molecule#edge#0#1g_10molecule#node#0#6molecule#edge#0#0g_11molecule#node#0#5molecule#edge#0#0g_10molecule#node#0#6molecule#edge#0#0g_12molecule#nod... |
10,003,569 | CC1=C(C(=C(C(=C1OC)CC2=C(C(=C3C(=C2O)CCC(O3)(C)C)C(=O)C)O)O)C(=O)C)O | This is a description of a molecule: The molecule is a natural product found in Mallotus japonicus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_221molecule#node#0#7molecule#edge#0g_222molecule#node#0#5molecule#edge#0#1g_223molecule#node#0#5molecule#edge#0#0g_224molecule#node#0#5molecule#edge#0#3g_225molecule#node#0#7molecule#edge#0#0g_224molecule#node#0#5molecule#edge#0#0g_226molecule#node#0#5molecule#edge#0#3g_227molecule#node#0#5molecule#edge#0#0g_2... |
10,003,571 | C[C@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@H]([C@@H]1C)OC(=O)C)OCO4)O)OC)OC)OC | This is a description of a molecule: The molecule is a natural product found in Kadsura japonica, Kadsura philippinensis, and Schisandra arisanensis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_282molecule#node#0#7molecule#edge#0g_283molecule#node#0#5molecule#edge#0#0g_284molecule#node#0#5molecule#edge#0#3g_285molecule#node#0#5molecule#edge#0#3g_286molecule#node#0#7molecule#edge#0#0g_285molecule#node#0#5molecule#edge#0#0g_287molecule#node#0#5molecule#edge#0#3g_288molecule#node#0#5molecule#edge#0#0g_2... |
100,036 | C1C2=CC3=C(C(=C2C(OC1=O)CC(=O)N)O)C(=O)C4=C(C3=O)C=CC=C4O | This is a description of a molecule: The molecule is an organic heterotetracyclic compound that is 1,8-dihydroxy-9,10-anthraquinone which is substituted at position 2 and 3 by 3-amino-1-hydroxy-3-oxopropyl and carboxymethyl groups, respectively, in which the hydroxy group beta- to the carboxamide has undergone formal c... | <graph>g_119molecule#node#0#5molecule#edge#0g_120molecule#node#0#5molecule#edge#0#0g_121molecule#node#0#7molecule#edge#0#1g_120molecule#node#0#5molecule#edge#0#1g_122molecule#node#0#5molecule#edge#0#0g_123molecule#node#0#5molecule#edge#0#3g_124molecule#node#0#5molecule#edge#0#3g_125molecule#node#0#5molecule#edge#0#3g_1... |
10,003,782 | CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Pentarhizidium orientale with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_72molecule#node#0#7molecule#edge#0g_73molecule#node#0#5molecule#edge#0#0g_74molecule#node#0#5molecule#edge#0#3g_75molecule#node#0#5molecule#edge#0#3g_76molecule#node#0#5molecule#edge#0#3g_77molecule#node#0#5molecule#edge#0#0g_78molecule#node#0#5molecule#edge#0#0g_79molecule#node#0#5molecule#edge#0#0g_80molecul... |
10,003,849 | C[C@H](CCC=C(C)C)/C=C/C=C(\C)/C(=O)NC(=NCCCCN=C(N)N)N | This is a description of a molecule: The molecule is a natural product found in Stelletta with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_184molecule#node#0#5molecule#edge#0g_185molecule#node#0#6molecule#edge#0#0g_186molecule#node#0#5molecule#edge#0#0g_187molecule#node#0#5molecule#edge#0#0g_188molecule#node#0#5molecule#edge#0#1g_189molecule#node#0#5molecule#edge#0#0g_190molecule#node#0#5molecule#edge#0#1g_191molecule#node#0#5molecule#edge#0#0g_1... |
10,004,010 | CC(=CCC1=C(C(=C(C(=C1OC)C2=CNC3=CC=CC=C32)O)OC)C4=CNC5=CC=CC=C54)C | This is a description of a molecule: The molecule is a bisindole alkaloid that is phenol bearing a 3,3-dimethylallyl group at position 4, two methoxy groups at positions 3 and 6, and two indol-3-yl groups at positions 2 and 5. It is a natural product isolated from the sclerotia of Aspergillus orbraceus, with moderate a... | <graph>g_157molecule#node#0#5molecule#edge#0g_158molecule#node#0#6molecule#edge#0#3g_159molecule#node#0#5molecule#edge#0#3g_160molecule#node#0#5molecule#edge#0#3g_161molecule#node#0#5molecule#edge#0#0g_162molecule#node#0#5molecule#edge#0#3g_163molecule#node#0#5molecule#edge#0#0g_164molecule#node#0#5molecule#edge#0#0g_1... |
10,004,121 | C[C@H]1[C@@H]2CCC3=C([C@]2(CCC1=O)C)C(=O)C[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C(=O)O)C | This is a description of a molecule: The molecule is a natural product found in Taiwanofungus camphoratus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_123molecule#node#0#5molecule#edge#0g_124molecule#node#0#5molecule#edge#0#0g_125molecule#node#0#5molecule#edge#0#0g_126molecule#node#0#5molecule#edge#0#0g_127molecule#node#0#5molecule#edge#0#0g_128molecule#node#0#7molecule#edge#0#1g_127molecule#node#0#5molecule#edge#0#1g_129molecule#node#0#5molecule#edge#0#0g_1... |
1,000,436 | C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)F)OC(F)F | This is a description of a molecule: The molecule is a member of benzoic acids. Generate this molecule graph between <graph> </graph>: | <graph>g_286molecule#node#0#7molecule#edge#0g_287molecule#node#0#5molecule#edge#0#1g_288molecule#node#0#5molecule#edge#0#0g_289molecule#node#0#5molecule#edge#0#3g_290molecule#node#0#7molecule#edge#0#0g_291molecule#node#0#5molecule#edge#0#0g_292molecule#node#0#8molecule#edge#0#0g_291molecule#node#0#5molecule#edge#0#0g_2... |
10,004,518 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)O)OS(=O)(=O)O | This is a description of a molecule: The molecule is a natural product found in Alchornea laxiflora with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_293molecule#node#0#7molecule#edge#0g_294molecule#node#0#5molecule#edge#0#1g_295molecule#node#0#5molecule#edge#0#3g_296molecule#node#0#7molecule#edge#0#0g_295molecule#node#0#5molecule#edge#0#0g_297molecule#node#0#5molecule#edge#0#3g_298molecule#node#0#5molecule#edge#0#0g_299molecule#node#0#5molecule#edge#0#3g_3... |
10,004,648 | CC(=CCC12C(=O)C3CC(C14C(=C3)C(=O)C5=C(O4)C(=C(C=C5O)O)C(C)(C)C=C)C(O2)(C)C)C | This is a description of a molecule: The molecule is a natural product found in Garcinia with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_43molecule#node#0#5molecule#edge#0g_44molecule#node#0#5molecule#edge#0#0g_45molecule#node#0#5molecule#edge#0#0g_46molecule#node#0#5molecule#edge#0#0g_47molecule#node#0#5molecule#edge#0#0g_48molecule#node#0#5molecule#edge#0#0g_49molecule#node#0#5molecule#edge#0#1g_50molecule#node#0#5molecule#edge#0#0g_49molecul... |
10,004,669 | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)N(C)C(=O)C5=CC=CC=C5)C)C)N(C)C | This is a description of a molecule: The molecule is a natural product found in Pachysandra axillaris, Sarcococca hookeriana, and Sarcococca saligna with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_455molecule#node#0#5molecule#edge#0g_456molecule#node#0#5molecule#edge#0#3g_457molecule#node#0#5molecule#edge#0#3g_458molecule#node#0#5molecule#edge#0#3g_459molecule#node#0#5molecule#edge#0#0g_460molecule#node#0#6molecule#edge#0#0g_461molecule#node#0#5molecule#edge#0#0g_462molecule#node#0#5molecule#edge#0#0g_4... |
10,004,724 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)O)CO)OS(=O)(=O)O)O | This is a description of a molecule: The molecule is a natural product found in Pseudomonas with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_124molecule#node#0#7molecule#edge#0g_125molecule#node#0#5molecule#edge#0#0g_126molecule#node#0#5molecule#edge#0#0g_127molecule#node#0#5molecule#edge#0#0g_128molecule#node#0#7molecule#edge#0#0g_129molecule#node#0#15molecule#edge#0#0g_130molecule#node#0#7molecule#edge#0#1g_129molecule#node#0#15molecule#edge#0#1g... |
10,004,842 | C[C@H]1[C@@H]2CC(=O)C3=C([C@]2(CCC1=O)C)C(=O)C[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C(=O)O)C | This is a description of a molecule: The molecule is a steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a methyl group at position 4 and oxo groups at positions 3, 7 and 11 (the 4alpha,5alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic and anti-in... | <graph>g_115molecule#node#0#5molecule#edge#0g_116molecule#node#0#5molecule#edge#0#0g_117molecule#node#0#5molecule#edge#0#0g_118molecule#node#0#5molecule#edge#0#0g_119molecule#node#0#7molecule#edge#0#1g_118molecule#node#0#5molecule#edge#0#1g_120molecule#node#0#5molecule#edge#0#0g_121molecule#node#0#5molecule#edge#0#0g_1... |
10,004,845 | CC(=CCC[C@@H]1[C@@H]2[C@H](C[C@]3([C@]2(CC[C@H]4C3=C[C@H]([C@@H]5[C@@]4(CCC(=O)C5(C)C)C)O)C)C)OC1=O)C | This is a description of a molecule: The molecule is a natural product found in Melia volkensii with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_23molecule#node#0#5molecule#edge#0g_24molecule#node#0#5molecule#edge#0#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_30molecule#node#0#5molecule#edge#0#1g_31molecul... |
1,000,490 | CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=CC=C2OC(F)F | This is a description of a molecule: The molecule is a member of benzoic acids. Generate this molecule graph between <graph> </graph>: | <graph>g_357molecule#node#0#5molecule#edge#0g_358molecule#node#0#5molecule#edge#0#3g_359molecule#node#0#5molecule#edge#0#0g_360molecule#node#0#6molecule#edge#0#0g_361molecule#node#0#6molecule#edge#0#0g_362molecule#node#0#5molecule#edge#0#0g_363molecule#node#0#6molecule#edge#0#0g_364molecule#node#0#5molecule#edge#0#0g_3... |
10,004,946 | CC(C)C(=C)CCC([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O | This is a description of a molecule: The molecule is a triterpenoid. Generate this molecule graph between <graph> </graph>: | <graph>g_56molecule#node#0#5molecule#edge#0g_57molecule#node#0#5molecule#edge#0#0g_58molecule#node#0#5molecule#edge#0#0g_59molecule#node#0#5molecule#edge#0#0g_60molecule#node#0#5molecule#edge#0#0g_61molecule#node#0#5molecule#edge#0#0g_62molecule#node#0#5molecule#edge#0#0g_63molecule#node#0#5molecule#edge#0#0g_64molecul... |
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... |
10,005,036 | CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC=C(C=C1)O | This is a description of a molecule: The molecule is a natural product found in Artemisia igniaria, Myoschilos oblongum, and Psiadia punctulata with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_28molecule#node#0#7molecule#edge#0g_29molecule#node#0#5molecule#edge#0#1g_30molecule#node#0#7molecule#edge#0#0g_31molecule#node#0#5molecule#edge#0#0g_32molecule#node#0#5molecule#edge#0#0g_33molecule#node#0#5molecule#edge#0#0g_34molecule#node#0#5molecule#edge#0#0g_35molecule#node#0#5molecule#edge#0#0g_36molecul... |
10,005,113 | CC(C)(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)COC(=O)C3=C(C4=CC=CC=C4C(=C3)OC)OC | This is a description of a molecule: The molecule is a natural product found in Rhinacanthus nasutus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_426molecule#node#0#7molecule#edge#0g_427molecule#node#0#5molecule#edge#0#0g_428molecule#node#0#5molecule#edge#0#3g_429molecule#node#0#5molecule#edge#0#0g_430molecule#node#0#7molecule#edge#0#0g_431molecule#node#0#5molecule#edge#0#0g_432molecule#node#0#5molecule#edge#0#0g_433molecule#node#0#5molecule#edge#0#0g_4... |
10,005,132 | C[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4(C)C)O)C)C)C | This is a description of a molecule: The molecule is a natural product found in Clavariadelphus truncatus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_250molecule#node#0#5molecule#edge#0g_251molecule#node#0#5molecule#edge#0#0g_252molecule#node#0#5molecule#edge#0#0g_253molecule#node#0#5molecule#edge#0#0g_254molecule#node#0#5molecule#edge#0#0g_255molecule#node#0#5molecule#edge#0#0g_256molecule#node#0#5molecule#edge#0#0g_257molecule#node#0#5molecule#edge#0#0g_2... |
10,005,137 | CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@@](C(=O)C2=CO1)(C)OC(=O)/C=C(/C)\CC(=O)O)Cl | This is a description of a molecule: The molecule is a natural product found in Talaromyces helicus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_393molecule#node#0#7molecule#edge#0g_394molecule#node#0#5molecule#edge#0#0g_395molecule#node#0#5molecule#edge#0#0g_396molecule#node#0#5molecule#edge#0#1g_397molecule#node#0#5molecule#edge#0#0g_398molecule#node#0#5molecule#edge#0#1g_399molecule#node#0#5molecule#edge#0#0g_400molecule#node#0#5molecule#edge#0#0g_4... |
10,005,461 | CC1=C[C@@H]2[C@H]([C@@H](C1)C3=C(C=C(C=C3)O)OC)[C@H](OC4=C2C=C5C=CC(=O)OC5=C4)C6=CC=C(C=C6)O | This is a description of a molecule: The molecule is a natural product found in Brosimum rubescens with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_410molecule#node#0#7molecule#edge#0g_411molecule#node#0#5molecule#edge#0#3g_412molecule#node#0#7molecule#edge#0#1g_411molecule#node#0#5molecule#edge#0#1g_413molecule#node#0#5molecule#edge#0#3g_414molecule#node#0#5molecule#edge#0#3g_415molecule#node#0#5molecule#edge#0#3g_416molecule#node#0#5molecule#edge#0#3g_4... |
10,005,544 | CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)OC)OC(=O)C | This is a description of a molecule: The molecule is a natural product found in Rhamnus nakaharae with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_309molecule#node#0#5molecule#edge#0g_310molecule#node#0#7molecule#edge#0#0g_311molecule#node#0#5molecule#edge#0#0g_312molecule#node#0#5molecule#edge#0#3g_313molecule#node#0#5molecule#edge#0#3g_314molecule#node#0#7molecule#edge#0#1g_313molecule#node#0#5molecule#edge#0#1g_315molecule#node#0#5molecule#edge#0#3g_3... |
10,005,549 | C1=CC2=C(C=C1/C=C/C3=CC(=CC(=C3)O)O)O[C@H]4[C@H](O2)C5=C(C6=CC(=C(C=C46)O)O)C(=CC(=C5)O)O | This is a description of a molecule: The molecule is a natural product found in Caragana tibetica, Senna garrettiana, and Cyperus longus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_476molecule#node#0#5molecule#edge#0g_477molecule#node#0#5molecule#edge#0#3g_478molecule#node#0#5molecule#edge#0#3g_479molecule#node#0#5molecule#edge#0#0g_480molecule#node#0#5molecule#edge#0#0g_481molecule#node#0#5molecule#edge#0#0g_482molecule#node#0#5molecule#edge#0#3g_477molecule#node#0#5molecule#edge#0#0g_4... |
10,005,570 | C/C(=C\CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CC[C@H]2C(=C)CC[C@@H]3[C@@]2(C[C@H](C[C@]3(C)CO)O)C | This is a description of a molecule: The molecule is a natural product found in Viburnum suspensum 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#0g_134molecule#node#0#5molecule#edge#0#0g_135molecule#node#0#5molecule#edge#0#0g_136molecule#node#0#5molecule#edge#0#1g_135molecule#node#0#5molecule#edge#0#1g_1... |
10,005,581 | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)O)C(=O)O | This is a description of a molecule: The molecule is a natural product found in Wolfiporia cocos with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_247molecule#node#0#5molecule#edge#0g_248molecule#node#0#5molecule#edge#0#0g_249molecule#node#0#5molecule#edge#0#0g_250molecule#node#0#5molecule#edge#0#0g_251molecule#node#0#5molecule#edge#0#0g_252molecule#node#0#5molecule#edge#0#0g_253molecule#node#0#5molecule#edge#0#0g_254molecule#node#0#5molecule#edge#0#0g_2... |
100,058 | COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O | This is a description of a molecule: The molecule is a natural product found in Gardenia jasminoides and Oldenlandia diffusa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_292molecule#node#0#5molecule#edge#0g_293molecule#node#0#5molecule#edge#0#0g_294molecule#node#0#5molecule#edge#0#0g_295molecule#node#0#7molecule#edge#0#0g_294molecule#node#0#5molecule#edge#0#0g_296molecule#node#0#5molecule#edge#0#0g_297molecule#node#0#7molecule#edge#0#0g_296molecule#node#0#5molecule#edge#0#0g_2... |
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