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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:53 - (+)-β-phellandrene
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ChEBI Name
(+)-β-phellandrene
ChEBI ID
CHEBI:53
ChEBI ASCII Name
(+)-beta-phellandrene
Definition
A β-phellandrene in which the chiral centre has
S
configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H16
Net Charge
0
Average Mass
136.23404
Monoisotopic Mass
136.12520
InChI
InChI=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
InChIKey
LFJQCDVYDGGFCH-JTQLQIEISA-N
SMILES
[H][C@]1(CCC(=C)C=C1)C(C)C
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
beta-phellandrene
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(+)-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
(−)-β-phellandrene (
CHEBI:129
)
is enantiomer of
(+)-β-phellandrene (
CHEBI:53
)
IUPAC Names
(4
S
)-
p
-mentha-1(7),2-diene
(6
S
)-3-methylidene-6-(propan-2-yl)cyclohex-1-ene
Synonyms
Sources
(+)-beta-Phellandrene
KEGG COMPOUND
(+)-
p
-mentha-1(7),2-diene
IUPAC
(
S
)-3-isopropyl-6-methylenecyclohexene
ChEBI
Manual Xrefs
Databases
C00003052
KNApSAcK
C09877
KEGG COMPOUND
CPD-8769
MetaCyc
HMDB0041634
HMDB
LMPR0102090022
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
3194593
Reaxys Registry Number
Reaxys
3194593
Beilstein Registry Number
Beilstein
6153-16-8
CAS Registry Number
KEGG COMPOUND
Last Modified
23 October 2015