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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52226 -
epi
-cedrol
Main
ChEBI Ontology
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ChEBI Name
epi
-cedrol
ChEBI ID
CHEBI:52226
ChEBI ASCII Name
epi-cedrol
Definition
The 8
S
-epimer of cedrol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C15H26O
Net Charge
0
Average Mass
222.36630
Monoisotopic Mass
222.19837
InChI
InChI=1S/C15H26O/c1-
10-
5-
6-
11-
13(2,3)
12-
9-
15(10,11)
8-
7-
14(12,4)
16/h10-
12,16H,5-
9H2,1-
4H3/t10-
,11+,12-
,14+,15+/m1/s1
InChIKey
SVURIXNDRWRAFU-MIBAYGRRSA-N
SMILES
[H][C@@]12CC[C@@H](C)[C@@]11CC[C@](C)(O)[C@H](C1)C2(C)C
Metabolite of Species
Details
Centella asiatica
(NCBI:txid48106)
See:
MetaboLights Study
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
epi
-cedrol (
CHEBI:52226
)
has role
plant metabolite (
CHEBI:76924
)
epi
-cedrol (
CHEBI:52226
)
is a
cedrane sesquiterpenoid (
CHEBI:36745
)
epi
-cedrol (
CHEBI:52226
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
cedran-8-ol
Synonyms
Sources
(−)-epicedrol
ChEBI
(3
R
,3a
S
,6
S
,7
R
,8a
S
)-
3,6,8,8-
tetramethyloctahydro-
1
H
-
3a,7-
methanoazulen-
6-
ol
IUPAC
8-
epi
-cedrol
NIST Chemistry WebBook
8-epicedrol
SUBMITTER
8-epicedrol
ChEBI
epi
-cedrol
UniProt
Registry Numbers
Types
Sources
19903-73-2
CAS Registry Number
NIST Chemistry WebBook
3195903
Reaxys Registry Number
Reaxys
3195903
Beilstein Registry Number
Beilstein
Citation
Type
Source
24359620
PubMed citation
Europe PMC
Last Modified
04 March 2015