Summary
SMILES: OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@@H](C5)C[C@@H]4O)CC[C@@H]([C@@]2(C)C(=O)O3)OInChI: InChI=1S/C19H24O6/c1-8-6-18-7-9(8)5-10(20)13(18)19-4-3-11(21)17(2,16(24)25-19)14(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12-,13-,14-,17-,18-,19-/m1/s1InChIKey: NYLKJADFYRJQOI-DMQYUYNFSA-N
DeepSMILES: OC=O)[C@H][C@H][C@][C@H][C@@]5CC=C)[C@@H]C5)C[C@@H]7O))))))))CC[C@@H][C@@]6C)C=O)O7)))O
Scaffold Graph/Node/Bond level: C=C1CC23CC1CCC2C12CCCC(C(=O)O1)C2C3
Scaffold Graph/Node level: CC1CC23CC1CCC2C12CCCC(C(O)O1)C2C3
Scaffold Graph level: CC1CC23CC1CCC2C12CCCC(C(C)C1)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 a35, gibberellin-a-35
External chemical identifiers:CID:21596345; ZINC:ZINC000197469300
Chemical structure download