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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:76944 - 13-
epi
-manool
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ChEBI Name
13-
epi
-manool
ChEBI ID
CHEBI:76944
ChEBI ASCII Name
13-epi-manool
Definition
A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an
S
-hydroxy group at position 13.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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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)
14-
11-
16-
15(2)
9-
10-
17-
18(3,4)
12-
8-
13-
20(16,17)
6/h7,16-
17,21H,1-
2,8-
14H2,3-
6H3/t16-
,17-
,19+,20+/m0/s1
InChIKey
CECREIRZLPLYDM-RAUXBKROSA-N
SMILES
C[C@](O)(CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
Roles Classification
Biological Role
(s):
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
13-
epi
-manool (
CHEBI:76944
)
has role
antifungal agent (
CHEBI:35718
)
13-
epi
-manool (
CHEBI:76944
)
has role
metabolite (
CHEBI:25212
)
13-
epi
-manool (
CHEBI:76944
)
is a
labdane diterpenoid (
CHEBI:36770
)
13-
epi
-manool (
CHEBI:76944
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(3
S
)-
3-
methyl-
5-
[(1
S
,4a
S
,8a
S
)-
5,5,8a-
trimethyl-
2-
methylenedecahydronaphthalen-
1-
yl]pent-
1-
en-
3-
ol
Synonyms
Sources
(13
S
)-labda-8(17),14-dien-13-ol
ChEBI
(13
S
)-manool
ChEBI
(5
S
,9
S
,10
S
,13
S
)-labda-8(17),14-dien-13-ol
ChEBI
13-
epi
-manool
UniProt
labda-8(17),14-dien-13(
S
)-ol
ChEBI
Manual Xref
Database
CPD-14029
MetaCyc
View more database links
Registry Number
Type
Source
2054966
Reaxys Registry Number
Reaxys
Citations
Types
Sources
14558770
PubMed citation
Europe PMC
21290071
PubMed citation
SUBMITTER
22129092
PubMed citation
Europe PMC
Last Modified
22 January 2014