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Gibberellin A94

Properties

Image

Occurences in reactions

MNX_ID

MNXM126042

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₉H₂₂O₆

charge

mass

346.14164

reference

InChIKey

GKOVHAGMHIIKFS-UHFFFAOYSA-N

InChI

InChI=1S/C19H22O6/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(21)22)17(2,16(23)25-19)14-11(24-14)13(19)20/h8-14,20H,1,3-6H2,2H3,(H,21,22)

SMILES

C=C1CC23CC1CCC2C12OC(=O)C(C)(C4OC4C1O)C2C3C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175378 chebi:175378	Gibberellin A94 15-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid
hmdb:HMDB0031365	Gibberellin A94 (1R,2R,5R,8R,9S,10R,11S,12R,14S,15R)-15-Hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1,.0,.0,.0,]octadecane-9-carboxylate (1R,2R,5R,8R,9S,10R,11S,12R,14S,15R)-15-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1^{5,8}.0^{1,10}.0^{2,8}.0^{12,14}]octadecane-9-carboxylic acid GA94
hmdb:HMDB31365	secondary/obsolete/fantasy identifier