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)O
InChI: 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/s1
InChIKey: 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: CC(=O)O; C=C(C)C; CO; COC(=O)C

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Prenol lipids
ClassyFire Subclass: Diterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Gibberellins

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Synonymous chemical names:
gibberellin-a-35, gibberellin a35, Gibberellin A35

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External chemical identifiers:
CID:CID_21596345; ZINC:ZINC000197469300

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Chemical structure download