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CHEBI:64361 - β-sesquiphellandrene

ChEBI IDCHEBI:64361
ChEBI Nameβ-sesquiphellandrene
Stars
ASCII Namebeta-sesquiphellandrene
DefinitionA sesquiterpene that is cyclohexene in which the hydrogens at position 6 are replaced by a methylidene group and in which the pro-R hydrogen at position 3 is replaced by a (2S)-6-methylhept-5-en-2-yl group.
Last Modified25 March 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]1([C@@H](C)CCC=C(C)C)C=CC(=C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1
InChIKeyPHWISBHSBNDZDX-LSDHHAIUSA-N
Species of MetaboliteComponentSourceComments
Zingiber officinale (ncbitaxon:94328) rhizome (BTO:0001181) PubMed (8064299) Dried rhizomes
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
β-sesquiphellandrene (CHEBI:64361) has role plant metabolite (CHEBI:76924)
β-sesquiphellandrene (CHEBI:64361) is a alicyclic compound (CHEBI:33654)
β-sesquiphellandrene (CHEBI:64361) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
Synonyms  Source
beta-sesquiphellandreneSUBMITTER
(−)-β-sesquiphellandreneChEBI
(−)-(6R,7S)-sesquiphellandreneChEBI
(R)-3-methylene-6-[(S)-6-methylhept-5-en-2-yl]-cyclohex-1-eneChEBI
(-)-beta-SesquiphellandreneKEGG COMPOUND
UniProt Name  Source
β-sesquiphellandreneUniProt
Manual XrefsDatabases
CPD-8247MetaCyc
C16776KEGG COMPOUND
C00007630KNApSAcK
Registry NumbersSources
Reaxys:2554167Reaxys
CAS:20307-83-9KEGG COMPOUND
CAS:20307-83-9ChemIDplus
Citations