Summary
SMILES: O=C1C=C2C3=C(C=C[C@@]2(C(C1)(C)C)C)C=C(C(=O)C3=O)C(C)CInChI: InChI=1S/C20H22O3/c1-11(2)14-8-12-6-7-20(5)15(16(12)18(23)17(14)22)9-13(21)10-19(20,3)4/h6-9,11H,10H2,1-5H3/t20-/m0/s1InChIKey: FDOUCWQEJJYQMH-FQEVSTJZSA-N
DeepSMILES: O=CC=CC=CC=C[C@@]6CC%10)C)C))C))))C=CC=O)C6=O)))CC)C
Scaffold Graph/Node/Bond level: O=C1C=C2C3=C(C=CC(=O)C3=O)C=CC2CC1
Scaffold Graph/Node level: OC1CCC2CCC3CCC(O)C(O)C3C2C1
Scaffold Graph level: CC1CCC2CCC3CCC(C)C(C)C3C2C1
Functional groups: CC(=O)C=C1CC=CC2=C1C(=O)C(=O)C(C)=C2
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Diterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Abeoabietane diterpenoids
Synonymous chemical names:pygmaeocin b
External chemical identifiers:CID:14565522; ZINC:ZINC000085813810
Chemical structure download