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CHEBI:5993 - Isocaryophyllene

ChEBI IDCHEBI:5993
ChEBI NameIsocaryophyllene
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CC/C(C)=C\CCC(=C)[C@@]1([H])CC2(C)C
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
InChIKeyNPNUFJAVOOONJE-FLFDDASRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24421258)
ChEBI Ontology
Outgoing Relation(s)
Isocaryophyllene (CHEBI:5993) is a sesquiterpenoid (CHEBI:26658)
Synonyms  Source
IsocaryophylleneKEGG COMPOUND
g-CaryophylleneHMDB
Gamma-CaryophylleneHMDB
beta-caryophylleneHMDB
CaryophylleneHMDB
gamma-CaryophylleneHMDB
Manual XrefsDatabases
C09691KEGG COMPOUND
C00012474KNApSAcK
HMDB0061779HMDB
Registry NumbersSources
CAS:118-65-0KEGG COMPOUND
Citations