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(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3734

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

formula

C₈H₉O₄

charge

-1

mass

169.05063

reference

InChIKey

KWQSYZVAOWYCNP-POYBYMJQSA-M

InChI

InChI=1S/C8H10O4/c1-5-2-3-8(12,7(10)11)6(9)4-5/h2-4,6,9,12H,1H3,(H,10,11)/p-1/t6-,8+/m0/s1

SMILES

CC1=C[C@H](O)[C@@](O)(C(=O)[O-])C=C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58768 chebi:58768	(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylate
CHEBI:49008 chebi:49008	(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
envipath:...1bcd47d595e6 envipathM:...1bcd47d595e6	4-Methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid
seed.compound:cpd04116 seedM:cpd04116	4-Methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid 4-methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate cis-1,2-dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate dh4mchc
bigg.metabolite:dh4mchc biggM:dh4mchc	Cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate
kegg.compound:C06729 keggC:C06729	cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate 4-Methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid
metacyc.compound:CIS-12-DIHYDROXY-ETCETERA-CARBOXYLATE metacycM:CIS-12-DIHYDROXY-ETCETERA-CARBOXYLATE	cis-1,2-dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate 4-methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid
biggM:M_dh4mchc keggC:M_C06729 seedM:M_cpd04116	secondary/obsolete/fantasy identifier