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CHEBI:53 - (+)-β-phellandrene

ChEBI IDCHEBI:53
ChEBI Name(+)-β-phellandrene
Stars
ASCII Name(+)-beta-phellandrene
DefinitionA β-phellandrene in which the chiral centre has S configuration.
Last Modified23 October 2015
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILES[H][C@]1(C(C)C)C=CC(=C)CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1
InChIKeyLFJQCDVYDGGFCH-JTQLQIEISA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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-phellandrene (CHEBI:53) has role plant metabolite (CHEBI:76924)
(+)-β-phellandrene (CHEBI:53) is a β-phellandrene (CHEBI:48741)
(+)-β-phellandrene (CHEBI:53) is enantiomer of (−)-β-phellandrene (CHEBI:129)
Incoming Relation(s)
(−)-β-phellandrene (CHEBI:129) is enantiomer of (+)-β-phellandrene (CHEBI:53)
IUPAC Names 
(4S)-p-mentha-1(7),2-diene
(6S)-3-methylidene-6-(propan-2-yl)cyclohex-1-ene
Synonyms  Source
(+)-beta-PhellandreneKEGG COMPOUND
(S)-3-isopropyl-6-methylenecyclohexeneChEBI
(+)-p-mentha-1(7),2-dieneIUPAC
Manual XrefsDatabases
C09877KEGG COMPOUND
LMPR0102090022LIPID MAPS
C00003052KNApSAcK
HMDB0041634HMDB
CPD-8769MetaCyc
Registry NumbersSources
Reaxys:3194593Reaxys
CAS:6153-16-8KEGG COMPOUND