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Acetylvalerenolic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM118790

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

formula

C₁₇H₂₄O₄

charge

mass

292.16746

reference

InChIKey

VBBXZFLAYWAXSK-YRNVUSSQSA-N

InChI

InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+

SMILES

CC(=O)OC1CC(C)=C2C(/C=C(\C)C(=O)O)CCC(C)C21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172142 chebi:172142	Acetylvalerenolic acid (E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
hmdb:HMDB0035687	Acetylvalerenolic acid (2E)-3-[1-(Acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate (2E)-3-[1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid Acetoxyvalerenic acid Acetylvalerenolate
hmdb:HMDB35687	secondary/obsolete/fantasy identifier