CHEBI:36647 - 2,3-dihydroxy-p-cumate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3-dihydroxy-p-cumate
ChEBI ID CHEBI:36647
ChEBI ASCII Name 2,3-dihydroxy-p-cumate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11425, CHEBI:19318
Supplier Information
Download Molfile XML SDF
Formula C10H11O4
Net Charge -1
Average Mass 195.19194
Monoisotopic Mass 195.06628
InChI InChI=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
InChIKey ZHDLAGPONFNQMZ-UHFFFAOYSA-M
SMILES CC(C)c1ccc(C([O-])=O)c(O)c1O
ChEBI Ontology
Outgoing 2,3-dihydroxy-p-cumate (CHEBI:36647) has functional parent p-cumate (CHEBI:25822)
2,3-dihydroxy-p-cumate (CHEBI:36647) is a dihydroxybenzoate (CHEBI:36084)
2,3-dihydroxy-p-cumate (CHEBI:36647) is conjugate base of 2,3-dihydroxy-p-cumic acid (CHEBI:16725)
Incoming 2,3-dihydroxy-p-cumic acid (CHEBI:16725) is conjugate acid of 2,3-dihydroxy-p-cumate (CHEBI:36647)
IUPAC Name
2,3-dihydroxy-4-(propan-2-yl)benzoate
Synonyms Sources
2,3-dihydroxy-4-(1-methylethyl)benzoate ChEBI
2,3-dihydroxy-4-isopropylbenzoate ChEBI
2,3-dihydroxy-p-cumate UniProt
4-isopropyl-o-pyrocatechuate ChEBI
Manual Xrefs Databases
c0380 UM-BBD
C06580 KEGG COMPOUND
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Last Modified
23 July 2014