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ChEBI
> Main
CHEBI:63178 - (13
R
)-edaxadiene
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ChEBI Name
(13
R
)-edaxadiene
ChEBI ID
CHEBI:63178
ChEBI ASCII Name
(13R)-edaxadiene
Definition
An edaxadiene in which the carbon bearing the hydroxy group has
R
configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H34O
Net Charge
0
Average Mass
290.48340
Monoisotopic Mass
290.26097
InChI
InChI=1S/C20H34O/c1-
7-
19(5,21)
13-
14-
20(6)
15(2)
10-
11-
16-
17(20)
9-
8-
12-
18(16,3)
4/h7,11,15,17,21H,1,8-
10,12-
14H2,2-
6H3/t15-
,17+,19-
,20+/m0/s1
InChIKey
TXBORCBWDUAHAC-MFHCWRBVSA-N
SMILES
[H][C@@]12CCCC(C)(C)C1=CC[C@H](C)[C@@]2(C)CC[C@@](C)(O)C=C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
edaxadiene
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(13
R
)-edaxadiene (
CHEBI:63178
)
is a
edaxadiene (
CHEBI:59685
)
IUPAC Name
(3
R
)-
3-
methyl-
5-
[(1
R
,2
S
,8a
S
)-
1,2,5,5-
tetramethyl-
1,2,3,5,6,7,8,8a-
octahydronaphthalen-
1-
yl]pent-
1-
en-
3-
ol
Synonyms
Sources
(13
R
)-edaxadiene
UniProt
(13
R
)-isotuberculosinol
ChEBI
(13
R
)-nosyberkol
ChEBI
Registry Number
Type
Source
20452640
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21228491
PubMed citation
Europe PMC
21290071
PubMed citation
Europe PMC
Last Modified
15 December 2011