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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:50025 - β-pinene
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ChEBI Ontology
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ChEBI Name
β-pinene
ChEBI ID
CHEBI:50025
ChEBI ASCII Name
beta-pinene
Definition
An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10438, CHEBI:22853
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Read full article at Wikipedia
Formula
C10H16
Net Charge
0
Average Mass
136.23404
Monoisotopic Mass
136.12520
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
InChIKey
WTARULDDTDQWMU-UHFFFAOYSA-N
SMILES
CC1(C)C2CCC(=C)C1C2
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-pinene (
CHEBI:50025
)
has role
plant metabolite (
CHEBI:76924
)
β-pinene (
CHEBI:50025
)
is a
pinene (
CHEBI:17187
)
Incoming
pinen-10-yl vicianoside (
CHEBI:132794
)
has functional parent
β-pinene (
CHEBI:50025
)
(−)-β-pinene (
CHEBI:28359
)
is a
β-pinene (
CHEBI:50025
)
(+)-β-pinene (
CHEBI:50026
)
is a
β-pinene (
CHEBI:50025
)
IUPAC Names
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
pin-2(10)-ene
Synonyms
Sources
2(10)-pinene
ChemIDplus
6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane
NIST Chemistry WebBook
beta-Pinene
KEGG COMPOUND
β-pinene
UniProt
nopinene
NIST Chemistry WebBook
pseudopinene
NIST Chemistry WebBook
Manual Xrefs
Databases
Beta-pinene
Wikipedia
C00000816
KNApSAcK
C09882
KEGG COMPOUND
CPD-3221
MetaCyc
HMDB0036560
HMDB
LMPR0102120018
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
127-91-3
CAS Registry Number
KEGG COMPOUND
127-91-3
CAS Registry Number
ChemIDplus
127-91-3
CAS Registry Number
NIST Chemistry WebBook
1362266
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23472478
PubMed citation
Europe PMC
23513734
PubMed citation
Europe PMC
23738469
PubMed citation
Europe PMC
24555296
PubMed citation
Europe PMC
Last Modified
09 March 2017