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iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:27723 - β-cadinene
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ChEBI Ontology
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ChEBI Name
β-cadinene
ChEBI ID
CHEBI:27723
ChEBI ASCII Name
beta-cadinene
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10354, CHEBI:22833
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Formula
C15H24
Net Charge
0
Average Mass
204.35106
Monoisotopic Mass
204.18780
InChI
InChI=1S/C15H24/c1-
10(2)
13-
8-
6-
12(4)
14-
7-
5-
11(3)
9-
15(13)
14/h5-
6,10,13-
15H,7-
9H2,1-
4H3/t13-
,14-
,15-
/m0/s1
InChIKey
USDOQCCMRDNVAH-KKUMJFAQSA-N
SMILES
[H][C@@]12CC(C)=CC[C@@]1([H])C(C)=CC[C@H]2C(C)C
Roles Classification
Biological Role
(s):
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via
cadinene
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-cadinene (
CHEBI:27723
)
is a
cadinene (
CHEBI:22976
)
IUPAC Name
cadina-3,9-diene
Synonyms
Sources
(−)-β-cadinene
NIST Chemistry WebBook
(1
S
,4a
R
,8a
S
)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
IUPAC
beta-Cadinene
KEGG COMPOUND
β-cadinene
UniProt
Manual Xrefs
Databases
C00003106
KNApSAcK
C09625
KEGG COMPOUND
LMPR0103330003
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
523-47-7
CAS Registry Number
NIST Chemistry WebBook
523-47-7
CAS Registry Number
ChemIDplus
Last Modified
21 July 2020