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CHEBI:179900 - 11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid

ChEBI IDCHEBI:179900
ChEBI Name11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O2
Net Charge0
Average Mass192.258
Monoisotopic Mass192.11503
SMILESCc1ccc(C(C)CCC(=O)O)cc1
InChIInChI=1S/C12H16O2/c1-9-3-6-11(7-4-9)10(2)5-8-12(13)14/h3-4,6-7,10H,5,8H2,1-2H3,(H,13,14)
InChIKeyWSXBHPNNXXHZAP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid (CHEBI:179900) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
4-(4-methylphenyl)pentanoic acid
Manual XrefsDatabases
39146ChemSpider
HMDB0039643HMDB
Registry NumbersSources
CAS:59094-71-2ChemIDplus