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

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3,4-dihydroxyphthalate

	Properties	Image
MNX_ID	MNXM3474
reference	chebi:58137
formula	C₈H₄O₆
global charge	-2
mol weight	196.114
InChIKey	QXGJCWSBOZXWOV-UHFFFAOYSA-L
InChI	InChI=1S/C8H6O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)/p-2
SMILES	O=C([O-])C1=C(C(=O)[O-])C(O)=C(O)C=C1

MNX internals

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

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:58137 chebi:58137 QXGJCWSBOZXWOV-UHFFFAOYSA-L	3,4-dihydroxyphthalate 3,4-dihydroxybenzene-1,3-dicarboxylate 3,4-dihydroxyphthalate dianion 3,4-dihydroxyphthalate(2-)
envipath:...2fe447fd726b envipathM:...2fe447fd726b QXGJCWSBOZXWOV-UHFFFAOYSA-L	3,4-Dihydroxyphthalate
kegg.compound:C03223 keggC:C03223 QXGJCWSBOZXWOV-UHFFFAOYSA-N	3,4-Dihydroxyphthalate 3,4-Dihydroxyphthalic acid
seed.compound:cpd02061 seedM:cpd02061 QXGJCWSBOZXWOV-UHFFFAOYSA-L	3,4-Dihydroxyphthalate 3,4-Dihydroxyphthalic acid 3,4-dihydroxyphthalate
metacyc.compound:CPD-635 metacycM:CPD-635 QXGJCWSBOZXWOV-UHFFFAOYSA-L	3,4-dihydroxyphthalate
CHEBI:17416 chebi:17416 QXGJCWSBOZXWOV-UHFFFAOYSA-N	3,4-dihydroxyphthalic acid 3,4-Dihydroxyphthalate 3,4-Dihydroxyphthalic acid
envipath:...9700a43c2d5c envipathM:...9700a43c2d5c QXGJCWSBOZXWOV-UHFFFAOYSA-L	compound 0049822
chebi:11699 chebi:1388 chebi:19892 keggC:M_C03223 seedM:M_cpd02061	secondary/obsolete/fantasy identifier