Summary

SMILES: O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@]13[C@]4([C@@H]2O)[C@H](OC3=O)C[C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C
InChI: InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9-,10+,11+,15+,17+,18+,19-,20+/m1/s1
InChIKey: SQOJOAFXDQDRGF-UCTPIWQVSA-N
DeepSMILES: O=CO[C@@H][C@@][C@@H]5C))O)[C@@][C@][C@@H]5O))[C@H]OC5=O)))C[C@H][C@]5[C@H]O8)OC=O)[C@@H]5O))))))CC)C)C
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: CC(=O)OC; 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 b

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External chemical identifiers:
CID:101599976

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Chemical structure download