molecule stringlengths 1 2.01k | inchikey stringlengths 14 14 | description stringlengths 10 10k | standardized_molecule stringlengths 1 1.67k |
|---|---|---|---|
CC[C@@](C1=CC=C(C=C1)OC)([C@@H1](C2=CC=CC=C2)C3=CC=CC=N3)O | AAIGFEFEYXEACA | The molecule is a stilbenoid. | CC[C@@](O)(c1ccc(OC)cc1)[C@@H](c1ccccc1)c1ccccn1 |
CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC/C(=C/CCC(C)(C=C)O)/C)O)O)O)O)O)C | AAIHXVINAOBFQY | The molecule is a natural product found in Hypsizygus marmoreus with data available. | C=CC(C)(O)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C |
C[C@H1]1CC[C@H1]2CC[C@H1](O2)CC(=O)CC3=C(C(=CC(=C3)O)OC)C(=O)O1 | AAIPZLYIUASOAH | The molecule is a natural product found in Halenospora with data available. The molecule is a natural product found in Halenospora with data available. | COc1cc(O)cc2c1C(=O)O[C@@H](C)CC[C@H]1CC[C@@H](CC(=O)C2)O1 |
C[C@H1]([C@H1](C(=O)N[C@H1](CC(C)C)C(=O)N[C@@H1](CC1=CC=CC=C1)C(=O)N[C@H1](CCCCN)C(=O)N[C@H1]([C@@H1](C)O)C(=O)N[C@@H1](CC(C)C)C(=O)N[C@H1](CC(C)C)C(=O)N[C@@H1](CCC(=O)O)C(=O)N[C@@H1](CCCCN)C(=O)O)N)O | AAIQEFZBXJTIQR | The molecule is a natural product found in Photorhabdus laumondii with data available. | CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O |
C1=CC=C(C=C1)C(C(CO)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | AAIQEZBVKSAGIR | The molecule is a peptide. | NC(CCC(=O)NC(CSC(c1ccccc1)C(O)CO)C(=O)NCC(=O)O)C(=O)O |
CCCC[C@@H1](C)[C@@H1]1[C@@H1]2C=C[C@H1]3[C@@H1](CCC3[C@@]1(OC2=O)C)C | AAIRYAMDKLMESQ | The molecule is a natural product found in Trichoderma citrinoviride with data available. | CCCC[C@@H](C)[C@@H]1[C@@H]2C=C[C@@H]3C(CC[C@H]3C)[C@]1(C)OC2=O |
CCC(=O)OCCC(=O)N1C=CC2=CC=CC=C2C1C#N | AAISODGMPCCJTM | The molecule is a benzenoid aromatic compound. | CCC(=O)OCCC(=O)N1C=Cc2ccccc2C1C#N |
CC1=CC2=NC(=C(C=C2C=C1)/C=C(/C#N)\C(=O)N)N3CCCCC3 | AAISUDVSXFOHOW | The molecule is an aminoquinoline. | Cc1ccc2cc(/C=C(/C#N)C(N)=O)c(N3CCCCC3)nc2c1 |
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H1](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN | AAISZNAPQHMCLT | The molecule is a phosphatidylethanolamine 20:4_22:2. | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=N/NC(=O)C | AAITUNLWLVHUMS | The molecule is a member of pyrazoles. | CC(=O)N/N=C/c1c(C)[nH]n(-c2ccccc2)c1=O |
C[C@@H1](CCCCCC(=O)N1CCC[C@@H1]1C2=CN=CC=C2)O | AAIYOWLBULBBDR | The molecule is a natural product found in Nicotiana tabacum with data available. | C[C@H](O)CCCCCC(=O)N1CCC[C@@H]1c1cccnc1 |
CC/C=C\CCC(=O)/C=C/C(CCCCCCCC(=O)O)O | AAJBIBPYWAVKOQ | The molecule is an octadecadienoic acid. | CC/C=C\CCC(=O)/C=C/C(O)CCCCCCCC(=O)O |
C[C@@H1]([C@H1](CCO[C@H1]1[C@@H1]([C@H1]([C@@H1]([C@H1](O1)CO)O)O)O)C(C)(C)O)O | AAJDHOXHRGMSLB | The molecule is a natural product found in Cerbera manghas with data available. | C[C@H](O)[C@H](CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O |
C1C[C@H1](N(C1)C(=O)[C@H1](CCC(=O)O)N)C(=O)N[C@@H1](CCC(=O)N)C(=O)O | AAJHGGDRKHYSDH | The molecule is a peptide. | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)O |
C[C@H1]1[C@H1]2[C@H1](C[C@@H1]3[C@@]2(CC[C@H1]4[C@H1]3CC=C5[C@@]4(CC[C@@H1](C5)O[C@H1]6[C@@H1]([C@H1]([C@@H1]([C@H1](O6)CO)O[C@H1]7[C@@H1]([C@@H1]([C@H1]([C@@H1](O7)C)O)O)O)O)O[C@H1]8[C@@H1]([C@H1]([C@@H1]([C@H1](O8)CO)O)O)O)C)C)O[C@]19CC[C@@](O9)(C)CO[C@H1]%10[C@@H1]([C@H1]([C@@H1]([C@H1](O%10)CO)O)O)O | AAJHVVLGKCKBSH | The molecule is a natural product found in Avena sativa with data available. | C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)O8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
C[C@@H1](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H1](CCC(=O)N)C(=O)N[C@@H1](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H1](CCC(=O)N)C(=O)N[C@@H1](CC(C)C)CO)NC(=O)[C@@H1](CCC(=O)N)NC(=O)C(C)(C)NC(=O)[C@H1](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H1](C)NC(=O)[C@H1](CC1=CNC2=CC=CC=C21)NC(=O)C | AAJHZGKOEKTXLF | The molecule is a natural product found in Sepedonium ampullosporum with data available. The molecule is a natural product found in Sepedonium ampullosporum with data available. | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(C)C |
C[C@H1](CC[C@@H1](C(C)(C)O)O)[C@H1]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H1]4[C@@]3(CCC(=O)C4(C)C)C)C)C | AAJIHHYEPHRIET | The molecule is a triterpenoid. The molecule is a natural product found in Ganoderma lucidum with data available. The molecule is a natural product found in Ganoderma lucidum with data available. The molecule is a natural product found in Ganoderma lucidum with data available. The molecule is a natural product found in... | C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C |
CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3 | AAJIOFUVLXKEJB | The molecule is an aromatic ketone. | CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 |
CCCCCCCCCCCC[C@@H1]([C@@H1]1CC[C@@H1](O1)[C@H1]2CC[C@H1](O2)C[C@H1](CCCCC[C@H1](CC3=C[C@@H1](OC3=O)C)O)O)O | AAJKTJJGBYWRHK | The molecule is a natural product found in Annona mucosa with data available. | CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H]2CC[C@@H](C[C@@H](O)CCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1 |
CCCCCCCCCCCCCCCCCC[C@H1](CCCCCCCCCCCCC)O | AAJMNFSMEOFKKL | The molecule is a natural product found in Pisum sativum with data available. | CCCCCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCCCCCC |
C=CCC/C=C\C=C/CCCCCC[C@@H1]1CC[C@H1](O1)[C@@H1]2CC[C@H1](OO2)CC(=O)O | AAJUINQOJSADQB | The molecule is a natural product found in Stolonica socialis with data available. The molecule is a natural product found in Stolonica socialis with data available. | C=CCC/C=C\C=C/CCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 |
CCCCCC/C=C\CCCCCCCCCC1=CC(=CC(=C1)OC)O | AAKAGTMRUVKJKR | The molecule is a natural product found in Iris pallasii, Iris sibirica, and other organisms with data available. The molecule is a natural product found in Iris pallasii, Iris sibirica, and other organisms with data available. | CCCCCC/C=C\CCCCCCCCCc1cc(O)cc(OC)c1 |
CN1C[C@@H1]([C@H1]([C@@H1]([C@H1]1CO)O)O)O | AAKDPDFZMNYDLR | The molecule is a natural product found in Morus indica, Morus alba, and other organisms with data available. The molecule is a hydroxypiperidine that is duvoglustat in which the amino hydrogen is replaced by a methyl group. It is an inhibitor of alpha-glucosidase, an agonist of the glucose sensor SGLT3 and exhibits an... | CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
CCCCCCCCCCCCCCC[C@H1]([C@H1](COP(=O)([O-1])OCC[N+1](C)(C)C)NC(=O)CCCCCCCCCCC)O | AAKFURSPBCUAIO | The molecule is a sphingomyelin. | CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC |
C[C@H1]1[C@H1]([C@H1]([C@@H1]([C@@H1](O1)O[C@@H1]2[C@H1](OC([C@@H1]([C@H1]2O[C@H1]3[C@@H1]([C@H1]([C@H1]([C@H1](O3)CO)O)O[C@@H1]4[C@@H1]([C@H1]([C@H1]([C@H1](O4)CO)O)O)O)O[C@H1]5[C@H1]([C@@H1]([C@@H1]([C@@H1](O5)C)O)O)O)NC(=O)C)O)CO)O)O)O | AAKHDGZVKNZPFG | The molecule is a member of carbohydrates and carbohydrate derivatives. The molecule is a branched amino pentasaccharide consisting of the linear trisaccharide alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosamine having alpha-L-fucosyl residues attached at position 2 of the galactose and posit... | CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)OC)CCC)O | AAKHGLJWUOZNTQ | The molecule is a carbonyl compound. | CCCCCc1cc(O)c(OC(=O)c2c(CCC)cc(OC)cc2OC)c(O)c1C(=O)O |
COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O | AAKHRTZXSZBLFQ | The molecule is a natural product found in Corethrodendron multijugum and Glycyrrhiza glabra with data available. | COc1ccc2c(c1)oc1c3c(O)cc(O)cc3oc(=O)c21 |
CC1(CCC(=O)C2(C1C(CC3=CC(CCC32)(C)C=C)O)C)C | AAKIQAHIRCHPFB | The molecule is a natural product found in Eria marginata with data available. The molecule is a natural product found in Kaempferia marginata and Kaempferia galanga with data available. | C=CC1(C)C=C2CC(O)C3C(C)(C)CCC(=O)C3(C)C2CC1 |
CN1CCC2=CC(=O)C(=O)C=C21 | AAKISOQUIWOBTP | The molecule is an organic molecular entity. | CN1CCC2=CC(=O)C(=O)C=C21 |
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC | AAKJLRGGTJKAMG | The molecule is a Kinase Inhibitor. The mechanism of action of erlotinib is as a Protein Kinase Inhibitor. The molecule is a quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions. It has a role as an antineoplastic agent, a protein kinase i... | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O | AAKJOZZAGIRTOJ | The molecule is a member of flavonoids and a glucosiduronic acid. | O=C(O)C1OC(Oc2cc3oc(-c4ccc(O)cc4)c(OC4OC(CO)C(O)C(O)C4O)c(=O)c3c(O)c2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
CC(=CCC1=C2C(=C3C(=C1OC)C(=C(C(=O)O3)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C | AAKJUGSASOCUFQ | The molecule is a natural product found in Deguelia hatschbachii and Deguelia spruceana with data available. The molecule is an isoflavonoid. | COc1c(CC=C(C)C)c2c(c3oc(=O)c(-c4ccc(O)cc4)c(O)c13)C=CC(C)(C)O2 |
COC1=CC(=CC(=C1O)O)C=CC(=O)OC | AAKKARXDZDUXHU | The molecule is a natural product found in Sabia japonica and Eutrema japonicum with data available. The molecule is a natural product found in Sabia japonica and Eutrema japonicum with data available. | COC(=O)C=Cc1cc(O)c(O)c(OC)c1 |
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C4)C6=CC(=C7C(=C6N5)C(=O)C8=CC=CC=C8C7=O)NC(=O)C9=CC=CC=C9 | AAKMSGQPNUGLAZ | The molecule is an odorless brown to dark brown powder. | O=C(Nc1cccc2c(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c6c(=O)c7ccccc7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1 |
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\[C@@H1](C(O)(C)C)CCC(O[C@@H1]1O[C@@H1]([C@H1]([C@@H1]([C@H1]1O)O)O)CO)(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/[C@@H1](C(O)(C)C)CCC(O[C@@H1]2O[C@@H1]([C@H1]([C@@H1]([C@H1]2O)O)O)CO)(C)C)\C)\C | AAKNSFWYMCEXOJ | The molecule is a natural product found in Bos with data available. | CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](CCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O |
CC(C)C(=O)CC/C(=C/CCC1=CC(OC1=O)(C2=C(C=CC(=C2)O)O)OC)/C | AAKOJKILQYULNF | The molecule is a natural product found in Ganoderma australe with data available. | COC1(c2cc(O)ccc2O)C=C(CC/C=C(\C)CCC(=O)C(C)C)C(=O)O1 |
C1=NC(=C(N1)C[C@@H1](C(=O)O)N)I | AAKROHZJMPGWQF | The molecule is an iodoamino acid that is L-histidine derivative in which the imidazole ring is substituted by iodine at position 5. It is an iodoamino acid, a non-proteinogenic L-alpha-amino acid and a L-histidine derivative. | N[C@@H](Cc1[nH]cnc1I)C(=O)O |
CC(C)C[C@@H1](C(=O)N[C@@H1](C(C)C)C(=O)NCC(=O)O)N | AAKRWBIIGKPOKQ | The molecule is a tripeptide composed of L-leucine, L-valine and glycine joined in sequence by peptide linkages. It has a role as a metabolite. It is functionally related to a L-leucine, a L-valine and a glycine. | CC(C)C[C@H](N)C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C |
COC1=CC=C(C=C1)N2C(SCC2=O)C3=C(C(=CC=C3)OC)OC | AAKUGLDBNILBQK | The molecule is a dimethoxybenzene. | COc1ccc(N2C(=O)CSC2c2cccc(OC)c2OC)cc1 |
CC(=O)[C@H1]1CCC2=C1C(=O)C[C@@H1]3[C@H1]2CC=C4[C@@]3(CC[C@@H1](C4)O)C | AAKYADOUWNFWOI | The molecule is a natural product found in Adonis amurensis with data available. | CC(=O)[C@H]1CCC2=C1C(=O)C[C@@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C |
CC(=O)N[C@@H1]1[C@H1]([C@H1]([C@H1](O[C@@H1]1O)CO)O)O[C@H1]2[C@@H1]([C@H1]([C@H1]([C@H1](O2)CO)O)O[C@@]3(C[C@@H1]([C@H1]([C@@H1](O3)[C@@H1]([C@@H1](CO)O)O)N)O)C(=O)O)O | AALAUFPQVZWWSF | The molecule is a member of neuraminic acids. | CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O |
CC1(CC2C(C1)C(CC(C2O)O)(C)CCO)C | AALBGIFTYSUZNT | The molecule is a natural product found in Laurilia sulcata with data available. | CC1(C)CC2C(O)C(O)CC(C)(CCO)C2C1 |
C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C(=O)O | AALCHAKPJXCSQC | The molecule is an amidobenzoic acid. | O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCCC1C(=O)O |
CC(=CCC1=C(C=CC(=C1OC)[C@@H1]2COC3=CC(=CC(=C3C2=O)O)O)O)C | AALISTBXLBQUEH | The molecule is a natural product found in Sophora fraseri with data available. The molecule is a natural product found in Sophora tomentosa and Sophora flavescens with data available. The molecule is a natural product found in Sophora tomentosa and Sophora fraseri with data available. | COc1c([C@@H]2COc3cc(O)cc(O)c3C2=O)ccc(O)c1CC=C(C)C |
C[C@@H1]1CN2C[C@H1]3CCC4=C5[C@H1](CC4)[C@@H1](C[C@]56[C@]3([C@@H1](C[C@H1]1[C@@]62O)O)CO)C(=O)OC | AALIZCQLLBKATA | The molecule is a natural product found in Daphniphyllum macropodum with data available. | COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@@H](O)[C@@]52CO)[C@]63O)CC[C@@H]41 |
C[C@@]12CC[C@H1]3C(=O)O[C@@H1](C[C@]3([C@@H1]1[C@H1]4C=C[C@@]2(C(=O)O4)O)C)C5=COC=C5 | AALLCALQGXXWNA | The molecule is an organic heterotricyclic compound and an organooxygen compound. The molecule is a natural product found in Penianthus zenkeri with data available. The molecule is a natural product found in Penianthus zenkeri with data available. The molecule is a natural product found in Tinospora capillipes and Clei... | C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2 |
C1=CC=C2C(=C1)C=C(N2)C(=O)C3=CC4=C(N3)C=CC(=C4)O | AALNCHNFTKRFEL | The molecule is an indolyl carboxylic acid. | O=C(c1cc2ccccc2[nH]1)c1cc2cc(O)ccc2[nH]1 |
CCN(CC)CCCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C | AALPWUGBAOXTOC | The molecule is a member of quinazolines. | CCN(CC)CCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12 |
C[C@H1]1/C=C/C([C@@H1]([C@@H1]([C@H1]([C@@]2(CCC(=O)O[C@@H1]2[C@H1]3[C@H1]([C@](C[C@@]3(C1=O)O)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C(C)C)OC(=O)C)OC(=O)C)(C)C | AALSAFLHXNIBQV | The molecule is a natural product found in Euphorbia terracina with data available. | CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(C)=O)[C@@H]1OC(=O)C(C)C |
CCCCCCCCC/C(=C\C1=C(C(=O)C(=C(C1=O)OC)OC)C)/C(=O)O | AALSSIXXBDPENJ | The molecule is an orally bioavailable inhibitor of apurinic/apyrimidinic endonuclease 1/reduction-oxidation (redox) effector factor-1 (APE1/Ref-1; APEX1), with potential anti-angiogenic and antineoplastic activities. Upon administration, the APE1/Ref-1 Inhibitor APX3330 selectively targets and binds to APE1/Ref-1. Thi... | CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O |
CCC(=O)OCC(CO)O | AALUCPRYHRPMAG | The molecule is a 1-monoglyceride. | CCC(=O)OCC(O)CO |
COC1=C(C=CC(C1)/C=C/CO)O | AALXOLVYFZPFPN | The molecule is a natural product found in Bulbophyllum protractum, Pinus contorta, and other organisms with data available. | COC1=C(O)C=CC(/C=C/CO)C1 |
CCCCCCCCC1CO1 | AAMHBRRZYSORSH | The molecule is a clear colorless mobile liquid with a ethereal odor. | CCCCCCCCC1CO1 |
CCC(CC/C=C/C(=O)NCC(=O)O)O | AAMIEIRENMGSFA | The molecule is a N-acyl-amino acid. | CCC(O)CC/C=C/C(=O)NCC(=O)O |
CC(=O)OC1CCC2(C(C1(C)C)CCC(C2COC3=CC4=C(C=C3)C=CC(=O)O4)(CO)O)C | AAMIVUKWTUICAA | The molecule is a member of coumarins. | CC(=O)OC1CCC2(C)C(COc3ccc4ccc(=O)oc4c3)C(O)(CO)CCC2C1(C)C |
COC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NC4=CC=C(C=C4)F | AAMJLKLREADUIZ | The molecule is an aromatic amide. | COc1ccc2cc3cc(C(=O)Nc4ccc(F)cc4)sc3nc2c1 |
COC1=CC(=CC(=C1O)OC)[C@H1]2[C@@H1](OC3=C(C=C(C=C3O2)/C=C/C4=CC(=CC(=C4)O)O)O)CO | AAMJZOZEBWGQTJ | The molecule is a natural product found in Syagrus romanzoffiana with data available. | COc1cc([C@@H]2Oc3cc(/C=C/c4cc(O)cc(O)c4)cc(O)c3O[C@H]2CO)cc(OC)c1O |
C[C@H1]1C(=O)O[C@@H1]2[C@]13[C@H1]([C@@H1]4[C@]([C@H1](C[C@H1]([C@]45CO5)OC(=O)C)OC(=O)C)([C@H1]([C@H1]([C@H1](O3)C(=C)[C@@H1]2Cl)OC(=O)C)OC(=O)C)C)OC(=O)C | AAMSTGRVXAHYDD | The molecule is a natural product found in Dichotella gemmacea with data available. | C=C1[C@H]2O[C@]3([C@@H](C)C(=O)O[C@H]3[C@H]1Cl)[C@@H](OC(C)=O)[C@H]1[C@@]3(CO3)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@H]2OC(C)=O |
C/C/1=C\[C@H1]([C@]2([C@H1](C[C@H1]([C@@H1]2[C@H1](C[C@]3([C@@H1](O3)CC1)C)OC(=O)C)[C@@]4(CO4)C)OC(=O)C)C)OC(=O)C | AAMUOSUEGYBPIJ | The molecule is a natural product found in Plicanthus hirtellus with data available. | CC(=O)O[C@H]1C[C@]2(C)O[C@H]2CC/C(C)=C/[C@@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H]([C@]1(C)CO1)C[C@@H]2OC(C)=O |
CC1=C(C=CC(=C1)C[C@H1](C2=CC(=C(C(=C2)OC)O)O)OC)OC | AAMXENBJSGGNRE | The molecule is a natural product found in Dendrobium moniliforme and Dendrobium candidum with data available. | COc1ccc(C[C@@H](OC)c2cc(O)c(O)c(OC)c2)cc1C |
CC1COC(=O)C1(C(C)O)O | AAMXRZJYSRMQQF | The molecule is a gamma-lactone. | CC(O)C1(O)C(=O)OCC1C |
C[C@]12CCCC([C@@H1]1CC[C@]3([C@@H1]2CC/C(=C\OS(=O)(=O)[O-1])/[C@@H1]3CCC4=C[C@H1](OC4=O)OC)C)(C)C.[Na+1] | AANADYPLGVVCHK | The molecule is an organic molecular entity. It has a role as a metabolite. | CO[C@@H]1C=C(CC[C@H]2/C(=C/OS(=O)(=O)[O-])CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)C(=O)O1.[Na+] |
CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H1]3[C@@H1]2C[C@@H1](O[C@@H1]3CO)CC(=O)NCC4=CC(=CC=C4)F | AANFNNZNKVIOFO | The molecule is an amino acid amide. The molecule is an amino acid amide. The molecule is an amino acid amide. The molecule is an amino acid amide. The molecule is an amino acid amide. The molecule is an amino acid amide. The molecule is an amino acid amide. The molecule is an amino acid amide. | CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3cccc(F)c3)O[C@H](CO)[C@H]1O2 |
C1CC2=C(C=CC(=C2)O)C3=C(C=C(C=CC4=CC(=C(C=C4)O)C5=C(C=CC1=C5)O)C=C3)O | AANIEYOTXCALEB | The molecule is a natural product found in Herbertus norenus, Herbertus dicranus, and other organisms with data available. The molecule is a natural product found in Herbertus norenus, Herbertus dicranus, and other organisms with data available. | Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)C=Cc1ccc-2c(O)c1 |
C[C@H1]1CC[C@@H1]2[C@H1]([C@H1]3[C@@H1](N2C1)C[C@@H1]4[C@@]3([C@H1](C[C@H1]5[C@H1]4CC=C6[C@@]5(CC[C@@H1](C6)O)C)O)C)C | AANKDJLVHZQCFG | The molecule is a natural product found in Veratrum dahuricum, Salvia nemorosa, and other organisms with data available. The molecule is a natural product found in Veratrum grandiflorum with data available. The molecule is a natural product found in Veratrum nigrum, Veratrum dahuricum, and other organisms with data ava... | C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)N2C1 |
C1=NC2=C(C(=O)N1)N=CN2[C@H1]3[C@@H1]([C@@H1]([C@H1](O3)COP(=O)([O-1])[O-1])O)O.[Na+1].[Na+1] | AANLCWYVVNBGEE | The molecule is a purine ribonucleoside monophosphate. | O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+] |
C1[C@H1]([C@@H1]([C@H1]([C@@H1](O1)OC2=CC(=C(C=C2C3=CC(=O)C4=C(C=C(C=C4O3)O[C@H1]5[C@@H1]([C@H1]([C@@H1]([C@H1](O5)CO)O)O)O)O)O)O)O)O)O | AANLEWIAEUDQBM | The molecule is a natural product found in Taraxacum formosanum and Taraxacum mongolicum with data available. | O=c1cc(-c2cc(O)c(O)cc2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12 |
CC(C)C1CCC(=O)C=C1 | AANMVENRNJYEMK | The molecule is a natural product found in Eucalyptus fasciculosa, Eucalyptus intertexta, and other organisms with data available. The molecule is a natural product found in Oenanthe aquatica with data available. | CC(C)C1C=CC(=O)CC1 |
CC(C)(C=C)C1=C(N=CN1)/C=C\2/C(=O)N/C(=C/C3=CC=CC=C3)/C(=O)N2 | AANRCAZDPPXTKN | The molecule is a natural product found in Streptomyces albulus with data available. | C=CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O |
C[C@@H1]1[C@H1]2[C@@H1](CC=C1C[C@H1]3C(=O)N[C@@H1](C(=O)N[C@H1](C(=O)N([C@H1](C(=O)N[C@H1](C(=O)N([C@@H1](CC4=CC=C(O2)C=C4)C(=O)N3C)C)C)CC5=CC=C(C=C5)OC)C)C)C)O | AANYCZJQDXRDFH | The molecule is a natural product found in Rubia yunnanensis with data available. | COc1ccc(C[C@H]2C(=O)N[C@@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)O[C@@H]4[C@H](O)CC=C(C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)[C@@H]4C)cc1 |
C[C@@H1]1C(=O)[C@@H1]([C@@]2([C@@H1]([C@@]1(C)CCC3=CC(=O)OC3)CCC=C2C)C)O | AANYVSSWVXJVLU | The molecule is a natural product found in Pulicaria aucheri with data available. | CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C(=O)[C@H](O)[C@@]12C |
CCO[C@@H1](C1=CC(=C(C=C1)O)OC)[C@@H1](CO)O | AAOACSSPCZAJCZ | The molecule is a natural product found in Tarenna attenuata with data available. | CCO[C@@H](c1ccc(O)c(OC)c1)[C@H](O)CO |
C[C@@H1]1[C@H1]([C@H1](C[C@@H1](O1)O[C@@H1]2[C@H1](OC(=O)C[C@H1]2OC)C)O)O[C@H1]3C[C@@H1]([C@H1]([C@H1](O3)C)O[C@H1]4C[C@@H1]([C@@H1]([C@H1](O4)C)O[C@H1]5C[C@@H1]([C@@H1]([C@H1](O5)C)OC(=O)C)OC)OC)O | AAOAYBHFSKHXCG | The molecule is a natural product found in Periploca sepium and Periploca forrestii with data available. The molecule is a natural product found in Periploca sepium with data available. | CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4[C@@H](O)C[C@H](O[C@@H]5[C@@H](C)OC(=O)C[C@H]5OC)O[C@@H]4C)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1OC(C)=O |
CC(C)C[C@@H1](C(=O)O)NC(=O)[C@H1](CC(=O)N)NC(=O)[C@H1](CCC(=O)N)N | AAOBFSKXAVIORT | The molecule is a peptide. | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O |
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)O)OC)O)OC5C(C(C(CO5)O)O)O)O)O | AAOCXZJHLNLFPJ | The molecule is a natural product found in Marrubium velutinum with data available. The molecule is a natural product found in Marrubium velutinum with data available. | COc1cc(C=CC(=O)OC2C(CO)OC(OCCc3ccc(O)c(OC)c3)C(O)C2OC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)ccc1O |
CC1=C(C(=C(C=C1OC)OC)C(=O)C)O | AAOFJKLTRKOQTQ | The molecule is a natural product found in Euphorbia portulacoides and Syzygium cumini with data available. The molecule is an aromatic ketone. | COc1cc(OC)c(C(C)=O)c(O)c1C |
CC(C)(C)CCCCC(=O)O | AAOISIQFPPAFQO | The molecule is a medium-chain fatty acid. | CC(C)(C)CCCCC(=O)O |
C1[C@@H1]([C@H1](OC2=C1C(=CC(=C2[C@@H1](C3=CC(=C(C=C3)O)O)[C@H1](CC4=C(C=C(C=C4O)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O | AAOPKIFUFWCDQZ | The molecule is a natural product found in Sanguisorba officinalis with data available. The molecule is a catechin. The molecule is a catechin. | Oc1cc(O)c(C[C@H](O)[C@H](c2ccc(O)c(O)c2)c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c(O)c1 |
C1=NC(=C2C(=N1)N(C=N2)[C@H1]3[C@@H1]([C@@H1]([C@H1](O3)COP(=O)(O)O[C@@H1]4[C@@H1]([C@H1](O[C@H1]4N5C=NC6=C5N=C(NC6=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N | AAOPLQLDGHSOGE | The molecule is a (2'->5')-dinucleotide made up from guanosine-5'-triphosphate and adenosine-5'-monophosphate residues It is a (2'->5')-dinucleotide and a guanosine bisphosphate. The molecule is an organophosphate oxoanion obtained by deprotonation of the phosphate and triphosphate OH groups of pppGp(2'->5')A; major sp... | Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1 |
CC(C)[C@@H1](C(=O)N[C@@H1](CCC(=O)N)C(=O)N[C@@H1](CC1=CC=C(C=C1)O)C(=O)O)N | AAOPYWQQBXHINJ | The molecule is a peptide. | CC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
CCCCCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC | AAORACFZMYMFCG | The molecule is a member of phenols and a member of methoxybenzenes. | CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I |
C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=CC=C(S2)[N+1](=O)[O-1] | AAORDTZDTMACMK | The molecule is a C-nitro compound and a member of thiophenes. | O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NC(=O)NCc1ccccc1 |
C(CCN)C[C@@H1](C(=O)N[C@@H1](CC(=O)O)C(=O)NCC(=O)O)N | AAORVPFVUIHEAB | The molecule is a peptide. | NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O |
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 | AAOVKJBEBIDNHE | The molecule is a benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of gamma-aminobutyric acid activity. It is used in the treatment of severe anxiety disorders, as a hypnotic in the short-term managem... | CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 |
CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)OC(=O)C)O)OC(=O)C | AAOWDCXVOOKARC | The molecule is a natural product found in Glycine max with data available. The molecule is an isoflavonoid and an acrovestone. The molecule is a glycosyloxyisoflavone that is the 2'',4'',6''-O-triacetyl- derivative of glycitin. It has a role as a plant metabolite. It is an acetate ester, a hydroxyisoflavone, a methoxy... | COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1OC(C)=O |
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC | AAOXKTNPFBHMFQ | The molecule is a triglyceride. | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC |
CCC(=O)CC[C@@H1](C)[C@H1]1CC[C@@H1]2[C@@]1([C@H1](C[C@H1]3[C@H1]2[C@@H1](C[C@H1]4[C@@]3(CC[C@H1](C4)O)C)O)O)C | AAOYRDOLIWFRIW | The molecule is a bile acid. | CCC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
C=CCCC1CCOC1=O | AAOZRCOSOISBFQ | The molecule is a natural product found in Nicotiana tabacum with data available. | C=CCCC1CCOC1=O |
C[C@@H1]1[C@]23C(=O)O[C@@]4([C@H1]([C@@]5(O2)C(=C)[C@]6(C[C@@H1](C(=O)OC6(C)C)O)C[C@H1]([C@@]5([C@]3(C4=C)C(=O)O1)C)OC(=O)C)OC(=O)C)C | AAPBNQSLXVWXNI | The molecule is a natural product found in Aspergillus with data available. | C=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C[C@H](O)C(=O)OC5(C)C)C[C@@H](OC(C)=O)[C@]32C)[C@H](OC(C)=O)[C@@]1(C)OC4=O |
CCCSS/C=C\C | AAPBYIVJOWCMGH | The molecule is an organic disulfide. The molecule is a natural product found in Azadirachta indica, Allium fistulosum, and other organisms with data available. The molecule is a natural product found in Allium fistulosum and Allium cepa with data available. The molecule is a natural product found in Allium cepa with d... | C/C=C\SSCCC |
CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H1](COP(=O)([O-1])OCC[N+1](C)(C)C)[C@@H1](/C=C/CCCCCCCCC(C)CC)O | AAPDPMOLLIZJKU | The molecule is a sphingomyelin 40:1 obtained by formal condensation of the carboxy group of tricosanoic acid with the amino group of 14-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is functionally related... | CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCC(C)CC |
C[C@@H1]1[C@@H1](OC2=C3C(=CC(=O)OC3=C4C=CC(OC4=C2[C@@H1]1O)(C)C)C)C | AAPFBQWCKBJQGL | The molecule is a natural product found in Calophyllum lanigerum with data available. | Cc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)[C@@H](C)[C@H]4O)OC(C)(C)C=C3 |
CC(CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)CCOC(=O)C | AAPGEKMDLXBUBL | The molecule is a natural product found in Cupressus sempervirens with data available. The molecule is a natural product found in Cryptomeria japonica and Juniperus formosana with data available. The molecule is a natural product found in Pinus sylvestris with data available. The molecule is a natural product found in ... | C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)CCOC(C)=O |
C1CNC(=O)C2=C(C1=O)C=CN2 | AAPGLCCSVSGLFH | The molecule is a natural product found in Stylissa carteri, Stylissa massa, and Phakellia fusca with data available. | O=C1CCNC(=O)c2[nH]ccc21 |
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H1](CO)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC | AAPGXBRKBIUCMQ | The molecule is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
C[C@H1]1[C@H1]([C@@](C[C@@H1](O1)O[C@@H1]2[C@H1]([C@@H1]([C@H1](O[C@H1]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H1]([C@H1]7C(=O)N[C@@H1](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H1](C(=O)N7)NC(=O)[C@@H1]5NC(=O)[C@@H1](NC(=O)[C@@H1]([C@@H1](C%10=CC(=C(O4)C=C%10)Cl)O)N)CC(=O)N)O)C(=O)O)O)Cl)CO)O)O)(C)NCC%11=CC=C(C=C%11)C%12=CC=C(C=C%... | AAPHCFFPXJQKHX | The molecule is a polyol. | C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)cc(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@](C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)[C@@H]1O |
CCN1C(=O)/C(=C/C2=CC3=CC=CC=C3OC2C)/SC1=S | AAPHNFJLVIIBFG | The molecule is a 1-benzopyran. | CCN1C(=O)/C(=C/C2=Cc3ccccc3OC2C)SC1=S |
C[C@H1]1CC[C@H1]2[C@@](CCC[C@@]2([C@@]13CC[C@](O3)(C)C=C)C)(C)C(=O)O | AAPJXXBZLAKZSR | The molecule is a natural product found in Stevia subpubescens with data available. | C=C[C@@]1(C)CC[C@@]2(O1)[C@@H](C)CC[C@@H]1[C@]2(C)CCC[C@]1(C)C(=O)O |
COC1=C2C3=C(C=CN=C2OC)NC=CC3=C1 | AAPKLCPZQAFQJI | The molecule is a natural product found in Aaptos aaptos with data available. | COc1cc2cc[nH]c3ccnc(OC)c1c23 |
CC[C@@H1](C)C(=O)O[C@H1]1[C@H1]2[C@H1](C[C@@H1]([C@@]2(COC(=O)C)O)O)C(=CO1)CO[C@H1]3[C@@H1]([C@H1]([C@@H1]([C@H1](O3)CO)O)O)OC(=O)/C=C\C4=CC=C(C=C4)O | AAPLRLFRMAAIBE | The molecule is a natural product found in Viburnum ayavacense with data available. The molecule is a natural product found in Viburnum ayavacense with data available. | CC[C@@H](C)C(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C\c2ccc(O)cc2)[C@H]2C[C@H](O)[C@](O)(COC(C)=O)[C@@H]12 |
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