Summary
SMILES: OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)CCC[C@]2(C)C(=O)OC3InChI: InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17-,18+,19-,20-/m0/s1InChIKey: KSBJAONOPKRVRR-LTTRRGSQSA-N
DeepSMILES: OC=O)[C@H][C@H][C@][C@H][C@@]5CC=C)[C@]C5)O)CC7)))))))CCC[C@]6C)C=O)OC8
Scaffold Graph/Node/Bond level: C=C1CC23CC1CCC2C12CCCC(C(=O)OC1)C2C3
Scaffold Graph/Node level: CC1CC23CC1CCC2C12CCCC(C(O)OC1)C2C3
Scaffold Graph level: CC1CC23CC1CCC2C12CCCC(C(C)CC1)C2C3
Functional groups: C=C(C)C; CC(=O)O; CO; COC(C)=O
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: Gibberellins
Synonymous chemical names:gibberellin a(ga44), gibberellin a44, gibberellin ga 44, gibberellin ga44
External chemical identifiers:CID:443756; ZINC:ZINC000100899880
Chemical structure download