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CHEBI:48741 - β-phellandrene

ChEBI IDCHEBI:48741
ChEBI Nameβ-phellandrene
Stars
ASCII Namebeta-phellandrene
DefinitionOne of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. α-phellandrene, where both of them are endoocyclic).
Secondary ChEBI IDCHEBI:546332
Last Modified23 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILESC=C1C=CC(C(C)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
InChIKeyLFJQCDVYDGGFCH-UHFFFAOYSA-N
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-phellandrene (CHEBI:48741) has role plant metabolite (CHEBI:76924)
β-phellandrene (CHEBI:48741) is a phellandrene (CHEBI:50034)
Incoming Relation(s)
(+)-β-phellandrene (CHEBI:53) is a β-phellandrene (CHEBI:48741)
(−)-β-phellandrene (CHEBI:129) is a β-phellandrene (CHEBI:48741)
IUPAC Names 
3-methylidene-6-(propan-2-yl)cyclohex-1-ene
p-mentha-1(7),2-diene
Synonyms  Source
2-p-menthadieneChemIDplus
3-methylene-6-(1-methylethyl)cyclohexeneChemIDplus
4-isopropyl-1-methylene-2-cyclohexeneChemIDplus
3-isopropyl-6-methylene-1-cyclohexeneNIST Chemistry WebBook
β-PhellandrenChEBI
beta-phellandreneChEMBL
UniProt Name  Source
β-phellandreneUniProt
Manual XrefsDatabases
Beta-phellandreneMetaCyc
HMDB0036081HMDB
Registry NumbersSources
Reaxys:2038351Reaxys
CAS:555-10-2ChemIDplus
CAS:555-10-2NIST Chemistry WebBook
Citations