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3-O-methylgallate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2329

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

formula

C₈H₇O₅

charge

-1

mass

183.0299

reference

InChIKey

KWCCUYSXAYTNKA-UHFFFAOYSA-M

InChI

InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)/p-1

SMILES

COc1cc(C(=O)[O-])cc(O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:19950 chebi:19950	3-O-methylgallate 3,4-dihydroxy-5-methoxybenzoate 4,5-Dihydroxy-m-anisate
envipath:...b41a3d23570f envipathM:...b41a3d23570f	3-O-Methylgallate
kegg.compound:C05616 keggC:C05616	3-O-Methylgallate 3-O-Methylgallic acid
seed.compound:cpd03335 seedM:cpd03335	3-O-Methylgallate 3-O-Methylgallic acid 3-O-methylgallate
metacyc.compound:CPD-721 metacycM:CPD-721	3-O-methylgallate
CHEBI:28647 chebi:28647	3-O-methylgallic acid 3,4-dihydroxy-5-methoxybenzoic acid 3-O-Methylgallic acid 4,5-Dihydroxy-m-anisic acid gallic acid 3-methyl ether
envipath:...15592a01a88c envipathM:...15592a01a88c	compound 0046437
chebi:1615 keggC:M_C05616 seedM:M_cpd03335	secondary/obsolete/fantasy identifier