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

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Phthalate 3,4-cis-dihydrodiol

MNXM7672 is deprecated and here replaced by MNXM740097
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM740097
reference	chebi:81665
formula	C₈H₈O₆
global charge	0
mol weight	200.146
InChIKey	SBNAJYFFJXNDIG-NJGYIYPDSA-N
InChI	InChI=1S/C8H8O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,4,6,9-10H,(H,11,12)(H,13,14)/t4-,6-/m0/s1
SMILES	O=C(O)C1=C(C(=O)O)[C@@H](O)[C@@H](O)C=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,4,6,9-10H,(H,11,12)(H,13,14)/t4-,6-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][C@H:4]([OH:9])[C@H: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
envipath:...27639efb3f1e envipathM:...27639efb3f1e CHEBI:81665 chebi:81665 kegg.compound:C18314 keggC:C18314 SBNAJYFFJXNDIG-NJGYIYPDSA-N	Phthalate 3,4-cis-dihydrodiol
seed.compound:cpd19580 seedM:cpd19580 SBNAJYFFJXNDIG-NJGYIYPDSA-L	Phthalate 3,4-cis-dihydrodiol cis-3,4-dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate phthalate 3,4-cis-dihydrodiol phthalate-3,4-cis-dihydrodiol
metacyc.compound:CIS-34-DIHYDROXYCYCLOHEXA-162-DIENE- metacycM:CIS-34-DIHYDROXYCYCLOHEXA-162-DIENE- SBNAJYFFJXNDIG-NJGYIYPDSA-L	phthalate 3,4-cis-dihydrodiol cis-3,4-dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate phthalate-3,4-cis-dihydrodiol
keggC:M_C18314 seedM:M_cpd19580	secondary/obsolete/fantasy identifier