Summary

SMILES: O=C1O[C@H]2[C@]([C@H]1C)(O)[C@@]13[C@]4(C2)[C@H](OC3=O)[C@H]([C@@H]([C@]24[C@@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O
InChI: InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10-,11+,15+,17+,18+,19-,20+/m0/s1
InChIKey: LMEHVEUFNRJAAV-QRZUNLMMSA-N
DeepSMILES: O=CO[C@H][C@][C@H]5C))O)[C@][C@]C5)[C@H]OC5=O)))[C@H][C@@H][C@@]5[C@@H]O8)OC=O)[C@@H]5O))))))CC)C)C)))O
Scaffold Graph/Node/Bond level: O=C1CC2C(CC34C5CCC36CC(=O)OC6OC24C(=O)O5)O1
Scaffold Graph/Node level: OC1CC2C(CC34C5CCC36CC(O)OC6OC24C(O)O5)O1
Scaffold Graph level: CC1CC2CC34C5CCC36CC(C)CC6CC4(C(C)C5)C2C1
Functional groups: CO; COC(C)=O; CO[C@@H]1CCC(=O)O1

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene lactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Picrotoxane sesquiterpenoids

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Synonymous chemical names:
ginkgolide j

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External chemical identifiers:
CID:122173247; ZINC:ZINC000584567098

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Chemical structure download