CID int64 1 167M | SMILES stringlengths 2 1.71k | description stringlengths 110 8.95k | sequence stringlengths 94 38.1k |
|---|---|---|---|
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_39 molecule#node#0#7 molecule#edge#0 g_40 molecule#node#0#5 molecule#edge#0#0 g_41 molecule#node#0#5 molecule#edge#0#0 g_42 molecule#node#0#5 molecule#edge#0#0 g_43 molecule#node#0#7 molecule#edge#0#0 g_44 molecule#node#0#5 molecule#edge#0#0 g_45 molecule#node#0#5 molecule#edge#0#0 g_44 molecule#node#0#5 mole... |
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_50 molecule#node#0#8 molecule#edge#0 g_51 molecule#node#0#5 molecule#edge#0#0 g_52 molecule#node#0#5 molecule#edge#0#0 g_53 molecule#node#0#5 molecule#edge#0#0 g_54 molecule#node#0#16 molecule#edge#0#0 g_53 molecule#node#0#5 molecule#edge#0#0 g_52 molecule#node#0#5 molecule#edge#0#0 g_51 molecule#node#0#5 mol... |
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_390 molecule#node#0#7 molecule#edge#0 g_391 molecule#node#0#5 molecule#edge#0#0 g_392 molecule#node#0#5 molecule#edge#0#0 g_393 molecule#node#0#6 molecule#edge#0#0 g_394 molecule#node#0#5 molecule#edge#0#0 g_395 molecule#node#0#5 molecule#edge#0#0 g_394 molecule#node#0#5 molecule#edge#0#0 g_396 molecule#node#... |
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_389 molecule#node#0#5 molecule#edge#0 g_390 molecule#node#0#6 molecule#edge#0#0 g_391 molecule#node#0#5 molecule#edge#0#0 g_392 molecule#node#0#5 molecule#edge#0#0 g_391 molecule#node#0#5 molecule#edge#0#0 g_393 molecule#node#0#7 molecule#edge#0#1 g_391 molecule#node#0#5 molecule#edge#0#1 g_390 molecule#node#... |
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_10 molecule#node#0#7 molecule#edge#0 g_11 molecule#node#0#5 molecule#edge#0#1 g_12 molecule#node#0#5 molecule#edge#0#0 g_13 molecule#node#0#5 molecule#edge#0#0 g_14 molecule#node#0#5 molecule#edge#0#0 g_15 molecule#node#0#5 molecule#edge#0#0 g_16 molecule#node#0#7 molecule#edge#0#1 g_15 molecule#node#0#5 mole... |
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_59 molecule#node#0#5 molecule#edge#0 g_60 molecule#node#0#5 molecule#edge#0#0 g_61 molecule#node#0#5 molecule#edge#0#0 g_62 molecule#node#0#5 molecule#edge#0#3 g_63 molecule#node#0#5 molecule#edge#0#3 g_64 molecule#node#0#5 molecule#edge#0#0 g_65 molecule#node#0#5 molecule#edge#0#3 g_66 molecule#node#0#5 mole... |
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_196 molecule#node#0#5 molecule#edge#0 g_197 molecule#node#0#5 molecule#edge#0#0 g_198 molecule#node#0#5 molecule#edge#0#0 g_199 molecule#node#0#5 molecule#edge#0#0 g_200 molecule#node#0#5 molecule#edge#0#0 g_201 molecule#node#0#5 molecule#edge#0#0 g_202 molecule#node#0#5 molecule#edge#0#0 g_203 molecule#node#... |
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_493 molecule#node#0#5 molecule#edge#0 g_494 molecule#node#0#6 molecule#edge#0#0 g_495 molecule#node#0#5 molecule#edge#0#0 g_496 molecule#node#0#5 molecule#edge#0#0 g_497 molecule#node#0#5 molecule#edge#0#0 g_498 molecule#node#0#5 molecule#edge#0#0 g_499 molecule#node#0#5 molecule#edge#0#0 g_500 molecule#node#... |
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_341 molecule#node#0#7 molecule#edge#0 g_342 molecule#node#0#5 molecule#edge#0#0 g_343 molecule#node#0#5 molecule#edge#0#3 g_344 molecule#node#0#7 molecule#edge#0#0 g_345 molecule#node#0#5 molecule#edge#0#0 g_344 molecule#node#0#7 molecule#edge#0#0 g_343 molecule#node#0#5 molecule#edge#0#0 g_346 molecule#node#... |
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_458 molecule#node#0#5 molecule#edge#0 g_459 molecule#node#0#5 molecule#edge#0#0 g_460 molecule#node#0#5 molecule#edge#0#3 g_461 molecule#node#0#5 molecule#edge#0#3 g_462 molecule#node#0#5 molecule#edge#0#3 g_463 molecule#node#0#5 molecule#edge#0#0 g_464 molecule#node#0#5 molecule#edge#0#0 g_465 molecule#node#... |
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_96 molecule#node#0#5 molecule#edge#0 g_97 molecule#node#0#5 molecule#edge#0#0 g_98 molecule#node#0#5 molecule#edge#0#0 g_99 molecule#node#0#5 molecule#edge#0#0 g_100 molecule#node#0#5 molecule#edge#0#0 g_101 molecule#node#0#5 molecule#edge#0#0 g_102 molecule#node#0#7 molecule#edge#0#0 g_101 molecule#node#0#5 ... |
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_138 molecule#node#0#7 molecule#edge#0 g_139 molecule#node#0#5 molecule#edge#0#0 g_140 molecule#node#0#5 molecule#edge#0#0 g_141 molecule#node#0#5 molecule#edge#0#0 g_140 molecule#node#0#5 molecule#edge#0#0 g_142 molecule#node#0#5 molecule#edge#0#0 g_143 molecule#node#0#5 molecule#edge#0#1 g_144 molecule#node#... |
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_454 molecule#node#0#5 molecule#edge#0 g_455 molecule#node#0#5 molecule#edge#0#0 g_456 molecule#node#0#6 molecule#edge#0#0 g_457 molecule#node#0#5 molecule#edge#0#0 g_458 molecule#node#0#5 molecule#edge#0#0 g_459 molecule#node#0#5 molecule#edge#0#0 g_460 molecule#node#0#5 molecule#edge#0#3 g_461 molecule#node#... |
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_75 molecule#node#0#5 molecule#edge#0 g_76 molecule#node#0#5 molecule#edge#0#3 g_77 molecule#node#0#5 molecule#edge#0#3 g_78 molecule#node#0#7 molecule#edge#0#0 g_77 molecule#node#0#5 molecule#edge#0#0 g_79 molecule#node#0#5 molecule#edge#0#3 g_80 molecule#node#0#5 molecule#edge#0#0 g_81 molecule#node#0#5 mole... |
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_170 molecule#node#0#5 molecule#edge#0 g_171 molecule#node#0#7 molecule#edge#0#0 g_172 molecule#node#0#5 molecule#edge#0#0 g_173 molecule#node#0#5 molecule#edge#0#3 g_174 molecule#node#0#5 molecule#edge#0#3 g_175 molecule#node#0#5 molecule#edge#0#3 g_176 molecule#node#0#5 molecule#edge#0#0 g_177 molecule#node#... |
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_163 molecule#node#0#7 molecule#edge#0 g_164 molecule#node#0#5 molecule#edge#0#0 g_165 molecule#node#0#5 molecule#edge#0#0 g_166 molecule#node#0#5 molecule#edge#0#0 g_167 molecule#node#0#5 molecule#edge#0#0 g_168 molecule#node#0#5 molecule#edge#0#0 g_169 molecule#node#0#5 molecule#edge#0#0 g_170 molecule#node#... |
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_426 molecule#node#0#5 molecule#edge#0 g_427 molecule#node#0#5 molecule#edge#0#0 g_428 molecule#node#0#5 molecule#edge#0#1 g_429 molecule#node#0#5 molecule#edge#0#0 g_430 molecule#node#0#5 molecule#edge#0#0 g_431 molecule#node#0#5 molecule#edge#0#0 g_432 molecule#node#0#5 molecule#edge#0#0 g_433 molecule#node#... |
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_51 molecule#node#0#77 molecule#edge#0 g_52 molecule#node#0#7 molecule#edge#0 g_53 molecule#node#0#5 molecule#edge#0#1 g_54 molecule#node#0#5 molecule#edge#0#0 g_55 molecule#node#0#5 molecule#edge#0#0 g_54 molecule#node#0#5 molecule#edge#0#0 g_56 molecule#node#0#7 molecule#edge#0#0 g_54 molecule#node#0#5 molec... |
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_457 molecule#node#0#5 molecule#edge#0 g_458 molecule#node#0#5 molecule#edge#0#0 g_459 molecule#node#0#6 molecule#edge#0#0 g_460 molecule#node#0#5 molecule#edge#0#0 g_461 molecule#node#0#5 molecule#edge#0#0 g_462 molecule#node#0#5 molecule#edge#0#0 g_463 molecule#node#0#5 molecule#edge#0#0 g_462 molecule#node#... |
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_326 molecule#node#0#5 molecule#edge#0 g_327 molecule#node#0#5 molecule#edge#0#1 g_328 molecule#node#0#5 molecule#edge#0#0 g_329 molecule#node#0#5 molecule#edge#0#0 g_330 molecule#node#0#5 molecule#edge#0#3 g_331 molecule#node#0#5 molecule#edge#0#3 g_330 molecule#node#0#5 molecule#edge#0#3 g_332 molecule#node#... |
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_428 molecule#node#0#5 molecule#edge#0 g_429 molecule#node#0#5 molecule#edge#0#0 g_430 molecule#node#0#5 molecule#edge#0#0 g_431 molecule#node#0#5 molecule#edge#0#0 g_432 molecule#node#0#5 molecule#edge#0#0 g_433 molecule#node#0#5 molecule#edge#0#1 g_434 molecule#node#0#5 molecule#edge#0#0 g_435 molecule#node#... |
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_443 molecule#node#0#5 molecule#edge#0 g_444 molecule#node#0#5 molecule#edge#0#3 g_445 molecule#node#0#7 molecule#edge#0#3 g_446 molecule#node#0#5 molecule#edge#0#3 g_447 molecule#node#0#5 molecule#edge#0#3 g_448 molecule#node#0#5 molecule#edge#0#0 g_449 molecule#node#0#5 molecule#edge#0#3 g_450 molecule#node#... |
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_326 molecule#node#0#7 molecule#edge#0 g_327 molecule#node#0#5 molecule#edge#0#0 g_328 molecule#node#0#5 molecule#edge#0#3 g_329 molecule#node#0#5 molecule#edge#0#3 g_330 molecule#node#0#5 molecule#edge#0#0 g_331 molecule#node#0#5 molecule#edge#0#0 g_332 molecule#node#0#5 molecule#edge#0#0 g_331 molecule#node#... |
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_254 molecule#node#0#5 molecule#edge#0 g_255 molecule#node#0#5 molecule#edge#0#0 g_256 molecule#node#0#5 molecule#edge#0#0 g_257 molecule#node#0#5 molecule#edge#0#0 g_258 molecule#node#0#5 molecule#edge#0#1 g_259 molecule#node#0#5 molecule#edge#0#0 g_258 molecule#node#0#5 molecule#edge#0#0 g_260 molecule#node#... |
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_222 molecule#node#0#5 molecule#edge#0 g_223 molecule#node#0#5 molecule#edge#0#0 g_224 molecule#node#0#5 molecule#edge#0#0 g_225 molecule#node#0#5 molecule#edge#0#0 g_226 molecule#node#0#5 molecule#edge#0#0 g_225 molecule#node#0#5 molecule#edge#0#0 g_227 molecule#node#0#5 molecule#edge#0#0 g_228 molecule#node#... |
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_233 molecule#node#0#6 molecule#edge#0 g_234 molecule#node#0#5 molecule#edge#0#0 g_235 molecule#node#0#5 molecule#edge#0#0 g_236 molecule#node#0#5 molecule#edge#0#3 g_237 molecule#node#0#5 molecule#edge#0#3 g_238 molecule#node#0#5 molecule#edge#0#3 g_239 molecule#node#0#7 molecule#edge#0#0 g_238 molecule#node#... |
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_361 molecule#node#0#5 molecule#edge#0 g_362 molecule#node#0#5 molecule#edge#0#3 g_363 molecule#node#0#5 molecule#edge#0#0 g_364 molecule#node#0#5 molecule#edge#0#0 g_365 molecule#node#0#5 molecule#edge#0#1 g_366 molecule#node#0#5 molecule#edge#0#0 g_365 molecule#node#0#5 molecule#edge#0#0 g_367 molecule#node#... |
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_318 molecule#node#0#5 molecule#edge#0 g_319 molecule#node#0#5 molecule#edge#0#0 g_320 molecule#node#0#5 molecule#edge#0#0 g_319 molecule#node#0#5 molecule#edge#0#0 g_321 molecule#node#0#5 molecule#edge#0#0 g_319 molecule#node#0#5 molecule#edge#0#0 g_322 molecule#node#0#7 molecule#edge#0#0 g_323 molecule#node#... |
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_470 molecule#node#0#7 molecule#edge#0 g_471 molecule#node#0#5 molecule#edge#0#0 g_472 molecule#node#0#5 molecule#edge#0#3 g_473 molecule#node#0#5 molecule#edge#0#0 g_474 molecule#node#0#5 molecule#edge#0#0 g_475 molecule#node#0#5 molecule#edge#0#1 g_476 molecule#node#0#5 molecule#edge#0#0 g_475 molecule#node#... |
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_65 molecule#node#0#7 molecule#edge#0 g_66 molecule#node#0#5 molecule#edge#0#0 g_67 molecule#node#0#5 molecule#edge#0#0 g_68 molecule#node#0#5 molecule#edge#0#1 g_69 molecule#node#0#5 molecule#edge#0#0 g_70 molecule#node#0#5 molecule#edge#0#3 g_71 molecule#node#0#5 molecule#edge#0#0 g_72 molecule#node#0#5 mole... |
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_20 molecule#node#0#7 molecule#edge#0 g_21 molecule#node#0#5 molecule#edge#0#1 g_22 molecule#node#0#6 molecule#edge#0#3 g_23 molecule#node#0#5 molecule#edge#0#0 g_24 molecule#node#0#5 molecule#edge#0#0 g_25 molecule#node#0#7 molecule#edge#0#0 g_24 molecule#node#0#5 molecule#edge#0#0 g_26 molecule#node#0#5 mole... |
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_32 molecule#node#0#5 molecule#edge#0 g_33 molecule#node#0#5 molecule#edge#0#0 g_34 molecule#node#0#7 molecule#edge#0#0 g_35 molecule#node#0#5 molecule#edge#0#0 g_36 molecule#node#0#5 molecule#edge#0#0 g_35 molecule#node#0#5 molecule#edge#0#0 g_37 molecule#node#0#7 molecule#edge#0#1 g_35 molecule#node#0#5 mole... |
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_343 molecule#node#0#5 molecule#edge#0 g_344 molecule#node#0#5 molecule#edge#0#0 g_345 molecule#node#0#5 molecule#edge#0#3 g_346 molecule#node#0#5 molecule#edge#0#3 g_347 molecule#node#0#5 molecule#edge#0#0 g_348 molecule#node#0#5 molecule#edge#0#0 g_349 molecule#node#0#5 molecule#edge#0#0 g_350 molecule#node#... |
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_17 molecule#node#0#5 molecule#edge#0 g_18 molecule#node#0#5 molecule#edge#0#0 g_19 molecule#node#0#5 molecule#edge#0#1 g_20 molecule#node#0#5 molecule#edge#0#0 g_19 molecule#node#0#5 molecule#edge#0#0 g_21 molecule#node#0#5 molecule#edge#0#0 g_22 molecule#node#0#5 molecule#edge#0#0 g_23 molecule#node#0#5 mole... |
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_394 molecule#node#0#5 molecule#edge#0 g_395 molecule#node#0#5 molecule#edge#0#0 g_396 molecule#node#0#5 molecule#edge#0#0 g_397 molecule#node#0#5 molecule#edge#0#0 g_398 molecule#node#0#5 molecule#edge#0#0 g_397 molecule#node#0#5 molecule#edge#0#0 g_399 molecule#node#0#6 molecule#edge#0#0 g_400 molecule#node#... |
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_390 molecule#node#0#5 molecule#edge#0 g_391 molecule#node#0#5 molecule#edge#0#0 g_392 molecule#node#0#5 molecule#edge#0#0 g_393 molecule#node#0#5 molecule#edge#0#0 g_394 molecule#node#0#5 molecule#edge#0#0 g_395 molecule#node#0#5 molecule#edge#0#0 g_394 molecule#node#0#5 molecule#edge#0#0 g_396 molecule#node#... |
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_181 molecule#node#0#5 molecule#edge#0 g_182 molecule#node#0#7 molecule#edge#0#0 g_183 molecule#node#0#5 molecule#edge#0#0 g_184 molecule#node#0#5 molecule#edge#0#3 g_185 molecule#node#0#5 molecule#edge#0#3 g_186 molecule#node#0#5 molecule#edge#0#0 g_187 molecule#node#0#5 molecule#edge#0#0 g_188 molecule#node#... |
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_161 molecule#node#0#5 molecule#edge#0 g_162 molecule#node#0#5 molecule#edge#0#0 g_163 molecule#node#0#7 molecule#edge#0#0 g_162 molecule#node#0#5 molecule#edge#0#0 g_164 molecule#node#0#5 molecule#edge#0#0 g_165 molecule#node#0#7 molecule#edge#0#0 g_164 molecule#node#0#5 molecule#edge#0#0 g_166 molecule#node#... |
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_177 molecule#node#0#7 molecule#edge#0 g_178 molecule#node#0#5 molecule#edge#0#3 g_179 molecule#node#0#5 molecule#edge#0#3 g_180 molecule#node#0#5 molecule#edge#0#0 g_181 molecule#node#0#5 molecule#edge#0#0 g_182 molecule#node#0#5 molecule#edge#0#0 g_183 molecule#node#0#5 molecule#edge#0#0 g_182 molecule#node#... |
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_150 molecule#node#0#5 molecule#edge#0 g_151 molecule#node#0#5 molecule#edge#0#3 g_152 molecule#node#0#5 molecule#edge#0#0 g_153 molecule#node#0#5 molecule#edge#0#3 g_154 molecule#node#0#5 molecule#edge#0#0 g_155 molecule#node#0#5 molecule#edge#0#0 g_156 molecule#node#0#5 molecule#edge#0#0 g_155 molecule#node#... |
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_459 molecule#node#0#5 molecule#edge#0 g_460 molecule#node#0#5 molecule#edge#0#0 g_461 molecule#node#0#5 molecule#edge#0#0 g_462 molecule#node#0#7 molecule#edge#0#0 g_463 molecule#node#0#5 molecule#edge#0#0 g_464 molecule#node#0#5 molecule#edge#0#0 g_465 molecule#node#0#7 molecule#edge#0#1 g_464 molecule#node#... |
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_64 molecule#node#0#7 molecule#edge#0 g_65 molecule#node#0#5 molecule#edge#0#1 g_66 molecule#node#0#7 molecule#edge#0#0 g_67 molecule#node#0#5 molecule#edge#0#0 g_68 molecule#node#0#5 molecule#edge#0#0 g_69 molecule#node#0#5 molecule#edge#0#1 g_70 molecule#node#0#5 molecule#edge#0#0 g_71 molecule#node#0#7 mole... |
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_312 molecule#node#0#7 molecule#edge#0 g_313 molecule#node#0#5 molecule#edge#0#0 g_314 molecule#node#0#5 molecule#edge#0#0 g_315 molecule#node#0#5 molecule#edge#0#0 g_316 molecule#node#0#7 molecule#edge#0#0 g_317 molecule#node#0#5 molecule#edge#0#0 g_318 molecule#node#0#5 molecule#edge#0#0 g_319 molecule#node#... |
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_11 molecule#node#0#5 molecule#edge#0 g_12 molecule#node#0#7 molecule#edge#0#0 g_13 molecule#node#0#5 molecule#edge#0#0 g_14 molecule#node#0#5 molecule#edge#0#3 g_15 molecule#node#0#5 molecule#edge#0#3 g_16 molecule#node#0#7 molecule#edge#0#0 g_15 molecule#node#0#5 molecule#edge#0#0 g_17 molecule#node#0#5 mole... |
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_426 molecule#node#0#5 molecule#edge#0 g_427 molecule#node#0#7 molecule#edge#0#0 g_428 molecule#node#0#5 molecule#edge#0#0 g_429 molecule#node#0#5 molecule#edge#0#3 g_430 molecule#node#0#5 molecule#edge#0#3 g_431 molecule#node#0#5 molecule#edge#0#0 g_432 molecule#node#0#5 molecule#edge#0#0 g_433 molecule#node#... |
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_39 molecule#node#0#7 molecule#edge#0 g_40 molecule#node#0#5 molecule#edge#0#0 g_41 molecule#node#0#5 molecule#edge#0#3 g_42 molecule#node#0#5 molecule#edge#0#0 g_43 molecule#node#0#5 molecule#edge#0#0 g_44 molecule#node#0#5 molecule#edge#0#1 g_45 molecule#node#0#5 molecule#edge#0#0 g_44 molecule#node#0#5 mole... |
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_301 molecule#node#0#5 molecule#edge#0 g_302 molecule#node#0#5 molecule#edge#0#3 g_303 molecule#node#0#5 molecule#edge#0#0 g_304 molecule#node#0#5 molecule#edge#0#3 g_305 molecule#node#0#7 molecule#edge#0#0 g_306 molecule#node#0#5 molecule#edge#0#0 g_307 molecule#node#0#5 molecule#edge#0#0 g_306 molecule#node#... |
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_54 molecule#node#0#5 molecule#edge#0 g_55 molecule#node#0#5 molecule#edge#0#0 g_56 molecule#node#0#5 molecule#edge#0#0 g_57 molecule#node#0#5 molecule#edge#0#0 g_58 molecule#node#0#5 molecule#edge#0#0 g_59 molecule#node#0#5 molecule#edge#0#0 g_60 molecule#node#0#5 molecule#edge#0#0 g_61 molecule#node#0#5 mole... |
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_397 molecule#node#0#7 molecule#edge#0 g_398 molecule#node#0#5 molecule#edge#0#1 g_399 molecule#node#0#5 molecule#edge#0#0 g_400 molecule#node#0#5 molecule#edge#0#0 g_401 molecule#node#0#5 molecule#edge#0#0 g_402 molecule#node#0#5 molecule#edge#0#0 g_403 molecule#node#0#6 molecule#edge#0#0 g_404 molecule#node#... |
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_107 molecule#node#0#5 molecule#edge#0 g_108 molecule#node#0#5 molecule#edge#0#0 g_109 molecule#node#0#5 molecule#edge#0#0 g_110 molecule#node#0#5 molecule#edge#0#0 g_111 molecule#node#0#5 molecule#edge#0#0 g_112 molecule#node#0#5 molecule#edge#0#0 g_113 molecule#node#0#7 molecule#edge#0#1 g_112 molecule#node#... |
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_369 molecule#node#0#5 molecule#edge#0 g_370 molecule#node#0#5 molecule#edge#0#0 g_369 molecule#node#0#5 molecule#edge#0#0 g_371 molecule#node#0#5 molecule#edge#0#0 g_372 molecule#node#0#5 molecule#edge#0#0 g_373 molecule#node#0#5 molecule#edge#0#0 g_374 molecule#node#0#7 molecule#edge#0#0 g_373 molecule#node#... |
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_259 molecule#node#0#5 molecule#edge#0 g_260 molecule#node#0#6 molecule#edge#0#0 g_261 molecule#node#0#5 molecule#edge#0#0 g_262 molecule#node#0#5 molecule#edge#0#0 g_263 molecule#node#0#5 molecule#edge#0#0 g_264 molecule#node#0#5 molecule#edge#0#0 g_262 molecule#node#0#5 molecule#edge#0#0 g_261 molecule#node#... |
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_200 molecule#node#0#5 molecule#edge#0 g_201 molecule#node#0#5 molecule#edge#0#0 g_202 molecule#node#0#5 molecule#edge#0#0 g_203 molecule#node#0#5 molecule#edge#0#0 g_204 molecule#node#0#7 molecule#edge#0#0 g_205 molecule#node#0#5 molecule#edge#0#0 g_206 molecule#node#0#5 molecule#edge#0#0 g_207 molecule#node#... |
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_217 molecule#node#0#5 molecule#edge#0 g_218 molecule#node#0#5 molecule#edge#0#0 g_219 molecule#node#0#7 molecule#edge#0#0 g_218 molecule#node#0#5 molecule#edge#0#0 g_220 molecule#node#0#5 molecule#edge#0#0 g_221 molecule#node#0#7 molecule#edge#0#0 g_222 molecule#node#0#5 molecule#edge#0#0 g_223 molecule#node#... |
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_474 molecule#node#0#7 molecule#edge#0 g_475 molecule#node#0#5 molecule#edge#0#0 g_476 molecule#node#0#5 molecule#edge#0#0 g_477 molecule#node#0#7 molecule#edge#0#0 g_478 molecule#node#0#5 molecule#edge#0#0 g_479 molecule#node#0#5 molecule#edge#0#3 g_480 molecule#node#0#5 molecule#edge#0#3 g_481 molecule#node#... |
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_467 molecule#node#0#5 molecule#edge#0 g_468 molecule#node#0#5 molecule#edge#0#0 g_469 molecule#node#0#5 molecule#edge#0#0 g_470 molecule#node#0#5 molecule#edge#0#0 g_469 molecule#node#0#5 molecule#edge#0#0 g_471 molecule#node#0#5 molecule#edge#0#0 g_469 molecule#node#0#5 molecule#edge#0#0 g_472 molecule#node#... |
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_257 molecule#node#0#7 molecule#edge#0 g_258 molecule#node#0#5 molecule#edge#0#0 g_259 molecule#node#0#5 molecule#edge#0#0 g_260 molecule#node#0#5 molecule#edge#0#0 g_261 molecule#node#0#7 molecule#edge#0#0 g_262 molecule#node#0#5 molecule#edge#0#0 g_261 molecule#node#0#7 molecule#edge#0#0 g_260 molecule#node#... |
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_254 molecule#node#0#5 molecule#edge#0 g_255 molecule#node#0#5 molecule#edge#0#0 g_256 molecule#node#0#5 molecule#edge#0#1 g_257 molecule#node#0#5 molecule#edge#0#0 g_258 molecule#node#0#5 molecule#edge#0#1 g_259 molecule#node#0#5 molecule#edge#0#0 g_260 molecule#node#0#5 molecule#edge#0#0 g_261 molecule#node#... |
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_414 molecule#node#0#5 molecule#edge#0 g_415 molecule#node#0#5 molecule#edge#0#0 g_416 molecule#node#0#5 molecule#edge#0#0 g_415 molecule#node#0#5 molecule#edge#0#0 g_417 molecule#node#0#5 molecule#edge#0#0 g_415 molecule#node#0#5 molecule#edge#0#0 g_418 molecule#node#0#5 molecule#edge#0#0 g_419 molecule#node#... |
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_28 molecule#node#0#7 molecule#edge#0 g_29 molecule#node#0#5 molecule#edge#0#1 g_30 molecule#node#0#6 molecule#edge#0#0 g_31 molecule#node#0#5 molecule#edge#0#0 g_32 molecule#node#0#5 molecule#edge#0#0 g_33 molecule#node#0#5 molecule#edge#0#0 g_34 molecule#node#0#5 molecule#edge#0#0 g_35 molecule#node#0#5 mole... |
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_210 molecule#node#0#7 molecule#edge#0 g_211 molecule#node#0#5 molecule#edge#0#1 g_212 molecule#node#0#5 molecule#edge#0#0 g_213 molecule#node#0#5 molecule#edge#0#0 g_214 molecule#node#0#6 molecule#edge#0#0 g_215 molecule#node#0#5 molecule#edge#0#0 g_216 molecule#node#0#5 molecule#edge#0#0 g_217 molecule#node#... |
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_96 molecule#node#0#6 molecule#edge#0 g_97 molecule#node#0#5 molecule#edge#0#0 g_98 molecule#node#0#5 molecule#edge#0#0 g_97 molecule#node#0#5 molecule#edge#0#0 g_99 molecule#node#0#5 molecule#edge#0#0 g_100 molecule#node#0#7 molecule#edge#0#1 g_99 molecule#node#0#5 molecule#edge#0#1 g_101 molecule#node#0#6 mo... |
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_428 molecule#node#0#5 molecule#edge#0 g_429 molecule#node#0#5 molecule#edge#0#0 g_430 molecule#node#0#5 molecule#edge#0#0 g_431 molecule#node#0#5 molecule#edge#0#0 g_432 molecule#node#0#5 molecule#edge#0#3 g_433 molecule#node#0#5 molecule#edge#0#3 g_434 molecule#node#0#5 molecule#edge#0#0 g_435 molecule#node#... |
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_12 molecule#node#0#5 molecule#edge#0 g_13 molecule#node#0#5 molecule#edge#0#3 g_14 molecule#node#0#5 molecule#edge#0#3 g_15 molecule#node#0#5 molecule#edge#0#0 g_16 molecule#node#0#5 molecule#edge#0#0 g_17 molecule#node#0#5 molecule#edge#0#0 g_16 molecule#node#0#5 molecule#edge#0#0 g_18 molecule#node#0#5 mole... |
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_213 molecule#node#0#5 molecule#edge#0 g_214 molecule#node#0#5 molecule#edge#0#3 g_215 molecule#node#0#5 molecule#edge#0#3 g_214 molecule#node#0#5 molecule#edge#0#3 g_216 molecule#node#0#5 molecule#edge#0#0 g_217 molecule#node#0#7 molecule#edge#0#1 g_216 molecule#node#0#5 molecule#edge#0#1 g_218 molecule#node#... |
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_283 molecule#node#0#5 molecule#edge#0 g_284 molecule#node#0#5 molecule#edge#0#0 g_285 molecule#node#0#5 molecule#edge#0#3 g_286 molecule#node#0#7 molecule#edge#0#0 g_285 molecule#node#0#5 molecule#edge#0#0 g_287 molecule#node#0#5 molecule#edge#0#3 g_288 molecule#node#0#5 molecule#edge#0#0 g_289 molecule#node#... |
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_126 molecule#node#0#5 molecule#edge#0 g_127 molecule#node#0#5 molecule#edge#0#0 g_128 molecule#node#0#5 molecule#edge#0#0 g_129 molecule#node#0#6 molecule#edge#0#0 g_130 molecule#node#0#5 molecule#edge#0#1 g_131 molecule#node#0#6 molecule#edge#0#0 g_132 molecule#node#0#5 molecule#edge#0#0 g_133 molecule#node#... |
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_359 molecule#node#0#5 molecule#edge#0 g_360 molecule#node#0#5 molecule#edge#0#3 g_361 molecule#node#0#5 molecule#edge#0#0 g_362 molecule#node#0#5 molecule#edge#0#3 g_363 molecule#node#0#6 molecule#edge#0#3 g_364 molecule#node#0#5 molecule#edge#0#3 g_365 molecule#node#0#5 molecule#edge#0#3 g_366 molecule#node#... |
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_128 molecule#node#0#5 molecule#edge#0 g_129 molecule#node#0#5 molecule#edge#0#0 g_130 molecule#node#0#5 molecule#edge#0#0 g_131 molecule#node#0#5 molecule#edge#0#0 g_132 molecule#node#0#5 molecule#edge#0#0 g_131 molecule#node#0#5 molecule#edge#0#0 g_133 molecule#node#0#5 molecule#edge#0#0 g_134 molecule#node#... |
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_510 molecule#node#0#5 molecule#edge#0 g_511 molecule#node#0#5 molecule#edge#0#3 g_0 molecule#node#0#5 molecule#edge#0#3 g_1 molecule#node#0#5 molecule#edge#0#3 g_2 molecule#node#0#5 molecule#edge#0#3 g_3 molecule#node#0#5 molecule#edge#0#0 g_4 molecule#node#0#7 molecule#edge#0#1 g_3 molecule#node#0#5 molecule... |
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_284 molecule#node#0#7 molecule#edge#0 g_285 molecule#node#0#5 molecule#edge#0#0 g_286 molecule#node#0#5 molecule#edge#0#3 g_287 molecule#node#0#5 molecule#edge#0#3 g_288 molecule#node#0#7 molecule#edge#0#0 g_287 molecule#node#0#5 molecule#edge#0#0 g_289 molecule#node#0#5 molecule#edge#0#3 g_290 molecule#node#... |
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_32 molecule#node#0#5 molecule#edge#0 g_33 molecule#node#0#5 molecule#edge#0#0 g_34 molecule#node#0#5 molecule#edge#0#0 g_35 molecule#node#0#7 molecule#edge#0#1 g_34 molecule#node#0#5 molecule#edge#0#1 g_36 molecule#node#0#5 molecule#edge#0#0 g_37 molecule#node#0#5 molecule#edge#0#0 g_38 molecule#node#0#5 mole... |
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_70 molecule#node#0#5 molecule#edge#0 g_71 molecule#node#0#5 molecule#edge#0#0 g_72 molecule#node#0#6 molecule#edge#0#0 g_73 molecule#node#0#5 molecule#edge#0#0 g_74 molecule#node#0#5 molecule#edge#0#0 g_75 molecule#node#0#5 molecule#edge#0#0 g_76 molecule#node#0#5 molecule#edge#0#0 g_77 molecule#node#0#5 mole... |
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_259 molecule#node#0#5 molecule#edge#0 g_260 molecule#node#0#6 molecule#edge#0#0 g_261 molecule#node#0#5 molecule#edge#0#0 g_262 molecule#node#0#5 molecule#edge#0#0 g_261 molecule#node#0#5 molecule#edge#0#0 g_263 molecule#node#0#7 molecule#edge#0#1 g_261 molecule#node#0#5 molecule#edge#0#1 g_260 molecule#node#... |
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_85 molecule#node#0#7 molecule#edge#0 g_86 molecule#node#0#5 molecule#edge#0#1 g_87 molecule#node#0#5 molecule#edge#0#0 g_88 molecule#node#0#5 molecule#edge#0#0 g_89 molecule#node#0#5 molecule#edge#0#0 g_90 molecule#node#0#5 molecule#edge#0#0 g_91 molecule#node#0#5 molecule#edge#0#0 g_92 molecule#node#0#5 mole... |
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_444 molecule#node#0#5 molecule#edge#0 g_445 molecule#node#0#5 molecule#edge#0#0 g_446 molecule#node#0#5 molecule#edge#0#0 g_447 molecule#node#0#5 molecule#edge#0#0 g_448 molecule#node#0#5 molecule#edge#0#0 g_449 molecule#node#0#5 molecule#edge#0#0 g_450 molecule#node#0#5 molecule#edge#0#0 g_451 molecule#node#... |
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_191 molecule#node#0#5 molecule#edge#0 g_192 molecule#node#0#6 molecule#edge#0#0 g_193 molecule#node#0#6 molecule#edge#0#0 g_194 molecule#node#0#5 molecule#edge#0#0 g_195 molecule#node#0#6 molecule#edge#0#0 g_196 molecule#node#0#5 molecule#edge#0#0 g_197 molecule#node#0#5 molecule#edge#0#3 g_198 molecule#node#... |
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_222 molecule#node#0#5 molecule#edge#0 g_223 molecule#node#0#5 molecule#edge#0#0 g_224 molecule#node#0#5 molecule#edge#0#0 g_225 molecule#node#0#5 molecule#edge#0#0 g_226 molecule#node#0#5 molecule#edge#0#0 g_227 molecule#node#0#5 molecule#edge#0#0 g_228 molecule#node#0#5 molecule#edge#0#0 g_229 molecule#node#... |
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_44 molecule#node#0#6 molecule#edge#0 g_45 molecule#node#0#5 molecule#edge#0#0 g_46 molecule#node#0#6 molecule#edge#0#1 g_47 molecule#node#0#5 molecule#edge#0#0 g_48 molecule#node#0#6 molecule#edge#0#2 g_47 molecule#node#0#5 molecule#edge#0#2 g_46 molecule#node#0#6 molecule#edge#0#0 g_45 molecule#node#0#5 mole... |
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_498 molecule#node#0#5 molecule#edge#0 g_499 molecule#node#0#5 molecule#edge#0#0 g_500 molecule#node#0#5 molecule#edge#0#0 g_501 molecule#node#0#5 molecule#edge#0#0 g_502 molecule#node#0#5 molecule#edge#0#0 g_503 molecule#node#0#5 molecule#edge#0#0 g_504 molecule#node#0#5 molecule#edge#0#0 g_505 molecule#node#... |
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_308 molecule#node#0#5 molecule#edge#0 g_309 molecule#node#0#7 molecule#edge#0#0 g_310 molecule#node#0#5 molecule#edge#0#0 g_311 molecule#node#0#5 molecule#edge#0#3 g_312 molecule#node#0#5 molecule#edge#0#0 g_313 molecule#node#0#7 molecule#edge#0#0 g_314 molecule#node#0#5 molecule#edge#0#0 g_315 molecule#node#... |
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_432 molecule#node#0#5 molecule#edge#0 g_433 molecule#node#0#5 molecule#edge#0#0 g_434 molecule#node#0#5 molecule#edge#0#0 g_435 molecule#node#0#5 molecule#edge#0#0 g_436 molecule#node#0#5 molecule#edge#0#0 g_437 molecule#node#0#5 molecule#edge#0#0 g_438 molecule#node#0#5 molecule#edge#0#0 g_439 molecule#node#... |
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_213 molecule#node#0#5 molecule#edge#0 g_214 molecule#node#0#5 molecule#edge#0#1 g_215 molecule#node#0#5 molecule#edge#0#0 g_216 molecule#node#0#7 molecule#edge#0#0 g_217 molecule#node#0#5 molecule#edge#0#0 g_218 molecule#node#0#5 molecule#edge#0#0 g_219 molecule#node#0#7 molecule#edge#0#1 g_218 molecule#node#... |
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_384 molecule#node#0#5 molecule#edge#0 g_385 molecule#node#0#5 molecule#edge#0#0 g_386 molecule#node#0#5 molecule#edge#0#0 g_387 molecule#node#0#5 molecule#edge#0#0 g_386 molecule#node#0#5 molecule#edge#0#0 g_388 molecule#node#0#5 molecule#edge#0#0 g_389 molecule#node#0#5 molecule#edge#0#0 g_390 molecule#node#... |
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_59 molecule#node#0#5 molecule#edge#0 g_60 molecule#node#0#5 molecule#edge#0#0 g_61 molecule#node#0#7 molecule#edge#0#0 g_62 molecule#node#0#5 molecule#edge#0#0 g_63 molecule#node#0#5 molecule#edge#0#3 g_64 molecule#node#0#5 molecule#edge#0#3 g_65 molecule#node#0#5 molecule#edge#0#3 g_66 molecule#node#0#5 mole... |
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