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Gravolenic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM126321

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

formula

C₁₄H₁₆O₆

charge

mass

280.09469

reference

InChIKey

DABSIZUNYJTFDJ-ARJAWSKDSA-N

InChI

InChI=1S/C14H16O6/c1-14(2,19)10-6-8-12(18)9(15)5-7(13(8)20-10)3-4-11(16)17/h3-5,10,15,18-19H,6H2,1-2H3,(H,16,17)/b4-3-

SMILES

CC(C)(O)C1Cc2c(O)c(O)cc(/C=C\C(=O)O)c2O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0033884	Gravolenic acid (2Z)-3-[4,5-Dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]prop-2-enoate (2Z)-3-[4,5-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]prop-2-enoic acid Gravolenate
hmdb:HMDB33884	secondary/obsolete/fantasy identifier