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

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4,5-dihydroxyphthalate

	Properties	Image
MNX_ID	MNXM1894
reference	chebi:58051
formula	C₈H₄O₆
global charge	-2
mol weight	196.114
InChIKey	YZBCICVNBHNLTK-UHFFFAOYSA-L
InChI	InChI=1S/C8H6O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,9-10H,(H,11,12)(H,13,14)/p-2
SMILES	O=C([O-])C1=C(C(=O)[O-])C=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C8H6O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,9-10H,(H,11,12)(H,13,14)
SMILES (mnx)	[CH:1]1=[C:3]([C:7](=[O:11])[OH:12])[C:4]([C:8](=[O:13])[OH:14])=[CH:2][C:6]([OH:10])=[C:5]1[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58051 chebi:58051 YZBCICVNBHNLTK-UHFFFAOYSA-L	4,5-dihydroxyphthalate 4,5-dihydroxybenzene-1,2-dicarboxylate 4,5-dihydroxyphthalate dianion 4,5-dihydroxyphthalate(2-)
envipath:...520bfb741ac3 envipathM:...520bfb741ac3 YZBCICVNBHNLTK-UHFFFAOYSA-L	4,5-Dihydroxyphthalate
kegg.compound:C03233 keggC:C03233 YZBCICVNBHNLTK-UHFFFAOYSA-N	4,5-Dihydroxyphthalate 4,5-Dihydroxyphthalic acid
seed.compound:cpd02070 seedM:cpd02070 YZBCICVNBHNLTK-UHFFFAOYSA-L	4,5-Dihydroxyphthalate 4,5-Dihydroxyphthalic acid 4,5-dihydroxyphthalate
metacyc.compound:CPD-636 metacycM:CPD-636 YZBCICVNBHNLTK-UHFFFAOYSA-L	4,5-dihydroxyphthalate
CHEBI:17199 chebi:17199 YZBCICVNBHNLTK-UHFFFAOYSA-N	4,5-dihydroxyphthalic acid 4,5-Dihydroxyphthalate 4,5-Dihydroxyphthalic acid
envipath:...419aa75c539a envipathM:...419aa75c539a YZBCICVNBHNLTK-UHFFFAOYSA-L	compound 0049827
chebi:11924 chebi:1746 chebi:20273 keggC:M_C03233 seedM:M_cpd02070	secondary/obsolete/fantasy identifier