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

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2-(3,5-dihydroxyphenyl)-2-oxoacetate

	Properties	Image
MNX_ID	MNXM6777
reference	chebi:75210
formula	C₈H₅O₅
global charge	-1
mol weight	181.123
InChIKey	IXVSXZQERGYQTA-UHFFFAOYSA-M
InChI	InChI=1S/C8H6O5/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,9-10H,(H,12,13)/p-1
SMILES	O=C([O-])C(=O)C1=CC(O)=CC(O)=C1

MNX internals

InChI (mnx)	InChI=1/C8H6O5/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,9-10H,(H,12,13)
SMILES (mnx)	[CH:1]1=[C:4]([C:7]([C:8]([OH:12])=[O:13])=[O:11])[CH:2]=[C:6]([OH:10])[CH:3]=[C:5]1[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75210 chebi:75210 IXVSXZQERGYQTA-UHFFFAOYSA-M	2-(3,5-dihydroxyphenyl)-2-oxoacetate (3,5-dihydroxyphenyl)(oxo)acetate 3,5-dihydroxyphenylglyoxylate
metacyc.compound:CPD-15753 metacycM:CPD-15753 IXVSXZQERGYQTA-UHFFFAOYSA-M	2-(3,5-dihydroxyphenyl)-2-oxoacetate (3,5-dihydroxyphenyl)(oxo)acetate (3,5-dihydroxyphenyl)glyoxylate
vmhM:35dhpgoxlt vmhmetabolite:35dhpgoxlt IXVSXZQERGYQTA-UHFFFAOYSA-N	3,5-Dihydroxyphenylglyoxylate
seed.compound:cpd09096 seedM:cpd09096 IXVSXZQERGYQTA-UHFFFAOYSA-M	3,5-Dihydroxyphenylglyoxylate (3,5-dihydroxyphenyl)(oxo)acetate (3,5-dihydroxyphenyl)glyoxylate 2-(3,5-Dihydroxyphenyl)-2-oxoacetate 2-(3,5-dihydroxyphenyl)-2-oxoacetate
kegg.compound:C12325 keggC:C12325 IXVSXZQERGYQTA-UHFFFAOYSA-N	3,5-Dihydroxyphenylglyoxylate 2-(3,5-Dihydroxyphenyl)-2-oxoacetate
CHEBI:31104 chebi:31104 IXVSXZQERGYQTA-UHFFFAOYSA-N	3,5-dihydroxyphenylglyoxylic acid (3,5-dihydroxyphenyl)(oxo)acetic acid
chebi:75403 keggC:M_C12325 seedM:M_cpd09096 vmhM:M_35dhpgoxlt	secondary/obsolete/fantasy identifier