MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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3,4,5-trimethoxybenzoate

	Properties	Image
MNX_ID	MNXM36019
reference	chebi:58989
formula	C₁₀H₁₁O₅
global charge	-1
mol weight	211.193
InChIKey	SJSOFNCYXJUNBT-UHFFFAOYSA-M
InChI	InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)/p-1
SMILES	COC1=CC(C(=O)[O-])=CC(OC)=C1OC

MNX internals

InChI (mnx)	InChI=1/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
SMILES (mnx)	[CH3:1][O:13][C:7]1=[C:9]([O:15][CH3:3])[C:8]([O:14][CH3:2])=[CH:5][C:6]([C:10](=[O:11])[OH:12])=[CH:4]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58989 chebi:58989 SJSOFNCYXJUNBT-UHFFFAOYSA-M	3,4,5-trimethoxybenzoate
metacyc.compound:CPD-24801 metacycM:CPD-24801 SJSOFNCYXJUNBT-UHFFFAOYSA-M	3,4,5-trimethoxybenzoate 5-methoxy-veratrate 5-methoxy-veratric acid eudesmic acid gallic acid trimethyl ether trimethylgallic acid
CHEBI:454991 chebi:454991 SJSOFNCYXJUNBT-UHFFFAOYSA-N	3,4,5-trimethoxybenzoic acid 5-methoxy-veratric acid Eudesmic acid Gallic acid trimethyl ether Tri-O-methylgallic acid Trimethylgallic acid
hmdb:HMDB0033839 SJSOFNCYXJUNBT-UHFFFAOYSA-N	Eudesmic acid 3,4,5-Trimethoxy-benzoic acid 3,4,5-Trimethoxybenzoate 3,4,5-Trimethoxybenzoic acid 3,4,5-Trimethoxybenzoic acid, potassium salt 3,4,5-Trimethoxybenzoic acid, sodium salt 3,4,5-trimethoxybenzoic acid 5-Methoxy-veratrate 5-Methoxy-veratric acid Eudesmate Gallate trimethyl ether Gallic acid trimethyl ether Tri-O-methylgallate Tri-O-methylgallic acid Trimethylgallate Trimethylgallic acid
hmdb:HMDB33839	secondary/obsolete/fantasy identifier