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ChEBI
> Main
CHEBI:76954 - (13
S
)-vitexifolin A
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ChEBI Name
(13
S
)-vitexifolin A
ChEBI ID
CHEBI:76954
ChEBI ASCII Name
(13S)-vitexifolin A
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-
/m1/s1
InChIKey
CECREIRZLPLYDM-PIKOESSRSA-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):
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
S
)-vitexifolin A (
CHEBI:76954
)
has role
metabolite (
CHEBI:25212
)
(13
S
)-vitexifolin A (
CHEBI:76954
)
is a
labdane diterpenoid (
CHEBI:36770
)
(13
S
)-vitexifolin A (
CHEBI:76954
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(3
S
)-
3-
methyl-
5-
[(1
R
,4a
S
,8a
S
)-
5,5,8a-
trimethyl-
2-
methylenedecahydronaphthalen-
1-
yl]pent-
1-
en-
3-
ol
Synonym
Source
(13
S
)-vitexifolin A
UniProt
Manual Xref
Database
CPD-14035
MetaCyc
View more database links
Registry Number
Type
Source
21378406
Reaxys Registry Number
Reaxys
Citation
Type
Source
21290071
PubMed citation
SUBMITTER
Last Modified
27 January 2014