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Phthalate 3,4-cis-dihydrodiol

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

Properties

Image

Occurences in reactions

MNX_ID

MNXM740097

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

formula

C₈H₈O₆

charge

mass

200.03209

reference

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
envipath:...27639efb3f1e envipathM:...27639efb3f1e CHEBI:81665 chebi:81665 kegg.compound:C18314 keggC:C18314	Phthalate 3,4-cis-dihydrodiol
seed.compound:cpd19580 seedM:cpd19580	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-	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