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CHEBI:147332 - 3-propylcatechol

ChEBI IDCHEBI:147332
ChEBI Name3-propylcatechol
Stars
DefinitionA member of the class of catechols that is catechol which is substituted by a propyl group at position 3. It is a chemical component in tobacco.
Last Modified19 May 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H12O2
Net Charge0
Average Mass152.193
Monoisotopic Mass152.08373
SMILESCCCc1cccc(O)c1O
InChIInChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(10)9(7)11/h3,5-6,10-11H,2,4H2,1H3
InChIKeyGOZVFLWHGAXTPA-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-propylcatechol (CHEBI:147332) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-propylcatechol (CHEBI:147332) is a catechols (CHEBI:33566)
IUPAC Name 
3-propylbenzene-1,2-diol
Synonyms  Source
3-n-propylcatecholChEBI
3-propyl-1,2-benzenediolChemIDplus
3-propylpyrocatecholChEBI
UniProt Name  Source
3-propylcatecholUniProt
Manual XrefsDatabases
CPD0-2477MetaCyc
Registry NumbersSources
CAS:2896-63-1ChemIDplus
Citations