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valerenate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1376207

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

formula

C₁₅H₂₁O₂

charge

-1

mass

233.331

reference

InChIKey

FEBNTWHYQKGEIQ-DHZHZOJOSA-M

InChI

InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/p-1/b11-8+

SMILES

[CH3:1][CH:9]1[CH2:4][CH2:6][CH:12](/[CH:8]=[C:11](\[CH3:3])[C:15](=[O:16])[OH:17])[C:14]2=[C:10]([CH3:2])[CH2:5][CH2:7][CH:13]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-14802 metacycM:CPD-14802	valerenate valerenic acid
hmdb:HMDB0030016	Valerenic acid (2E)-3-(3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoate (2E)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid IMU Valerenate valerenic acid
hmdb:HMDB30016	secondary/obsolete/fantasy identifier