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CHEBI:186661 - Cardanol

ChEBI IDCHEBI:186661
ChEBI NameCardanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O
Net Charge0
Average Mass298.470
Monoisotopic Mass298.22967
SMILESC=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1
InChIInChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4-,8-7-
InChIKeyJOLVYUIAMRUBRK-UTOQUPLUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Cardanol (CHEBI:186661) is a phenols (CHEBI:33853)
IUPAC Name 
3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol
Manual XrefsDatabases
9441534ChemSpider
LMPK15010002LIPID MAPS
Registry NumbersSources
CAS:79353-39-2ChemIDplus