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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid
ChEBI ID CHEBI:179900
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H16O2
Net Charge 0
Average Mass 192.258
Monoisotopic Mass 192.11503
InChI InChI=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)
InChIKey WSXBHPNNXXHZAP-UHFFFAOYSA-N
SMILES OC(=O)CCC(C1=CC=C(C=C1)C)C
ChEBI Ontology
Outgoing 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 Xrefs Databases
39146 ChemSpider
HMDB0039643 HMDB
View more database links
Registry Number Type Source
59094-71-2 CAS Registry Number ChemIDplus