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2,3-dihydroxy-p-cumate

PropertiesImage
MNX_IDMNXM2316 Image of MNXM2316
referencechebi:36647
formulaC10H11O4
global charge-1
mol weight195.194
InChIKeyZHDLAGPONFNQMZ-UHFFFAOYSA-M
InChIInChI=1S/C10H12O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,11-12H,1-2H3,(H,13,14)/p-1
SMILESCC(C)C1=C(O)C(O)=C(C(=O)[O-])C=C1
MNX internals
InChI (mnx)InChI=1/C10H12O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,11-12H,1-2H3,(H,13,14) Image of MNXM2316
SMILES (mnx)[CH3:1][CH:5]([CH3:2])[C:6]1=[C:8]([OH:11])[C:9]([OH:12])=[C:7]([C:10](=[O:13])[OH:14])[CH:4]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:36647
chebi:36647
ZHDLAGPONFNQMZ-UHFFFAOYSA-M 		2,3-dihydroxy-p-cumate
2,3-dihydroxy-4-(1-methylethyl)benzoate
2,3-dihydroxy-4-(propan-2-yl)benzoate
2,3-dihydroxy-4-isopropylbenzoate
4-isopropyl-o-pyrocatechuate

envipath:...41eb07539a8f
envipathM:...41eb07539a8f
kegg.compound:C06580
keggC:C06580
ZHDLAGPONFNQMZ-UHFFFAOYSA-M
ZHDLAGPONFNQMZ-UHFFFAOYSA-N 		2,3-Dihydroxy-p-cumate

seed.compound:cpd03987
seedM:cpd03987
ZHDLAGPONFNQMZ-UHFFFAOYSA-M 		2,3-Dihydroxy-p-cumate
2,3-dihydroxy-4-(1-methylethyl)-benzoic acid
2,3-dihydroxy-p-cumate
4-isopropyl-o-pyrocatechuic acid

metacyc.compound:CPD-1006
metacycM:CPD-1006
ZHDLAGPONFNQMZ-UHFFFAOYSA-M 		2,3-dihydroxy-p-cumate
2,3-dihydroxy-4-(1-methylethyl)-benzoic acid
4-isopropyl-o-pyrocatechuic acid

CHEBI:16725
chebi:16725
ZHDLAGPONFNQMZ-UHFFFAOYSA-N 		2,3-dihydroxy-p-cumic acid
2,3-Dihydroxy-p-cumate
2,3-dihydroxy-4-(1-methylethyl)benzoic acid
2,3-dihydroxy-4-(propan-2-yl)benzoic acid
2,3-dihydroxy-4-isopropylbenzoic acid
4-isopropyl-o-pyrocatechuic acid

chebi:11425
chebi:19318
chebi:884
keggC:M_C06580
seedM:M_cpd03987 		secondary/obsolete/fantasy identifier