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ChEBI
> Main
CHEBI:131837 - sterebin L
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ChEBI Ontology
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ChEBI Name
sterebin L
ChEBI ID
CHEBI:131837
Definition
A labdane diterpenoid with formula C
21
H
36
O
4
, originally isolated from the seeds of
Oryza sativa
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H36O4
Net Charge
0
Average Mass
352.509
Monoisotopic Mass
352.26136
InChI
InChI=1S/C21H36O4/c1-
14(10-
13-
25-
6)
8-
9-
15-
20(4)
12-
7-
11-
19(2,3)
17(20)
16(22)
18(23)
21(15,5)
24/h8-
10,15-
18,22-
24H,7,11-
13H2,1-
6H3/b9-
8+,14-
10-
/t15-
,16-
,17+,18+,20-
,21+/m1/s1
InChIKey
KOMLQPBMYPUDGX-GPLUPSNSSA-N
SMILES
C1([C@]2([C@](CCC1)([C@H]([C@@]([C@H]([C@@H]2O)O)(O)C)/C=C/C(=C\COC)/C)C)[H])(C)C
Metabolite of Species
Details
Oryza sativa
(NCBI:txid4530)
Found in seed
(BTO:0001226)
. See:
PubMed
Oryza sativa
(NCBI:txid4530)
Found in seed
(BTO:0001226)
. 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
sterebin L (
CHEBI:131837
)
has role
plant metabolite (
CHEBI:76924
)
sterebin L (
CHEBI:131837
)
is a
ether (
CHEBI:25698
)
sterebin L (
CHEBI:131837
)
is a
labdane diterpenoid (
CHEBI:36770
)
sterebin L (
CHEBI:131837
)
is a
olefinic compound (
CHEBI:78840
)
sterebin L (
CHEBI:131837
)
is a
secondary alcohol (
CHEBI:35681
)
sterebin L (
CHEBI:131837
)
is a
tertiary alcohol (
CHEBI:26878
)
sterebin L (
CHEBI:131837
)
is a
triol (
CHEBI:27136
)
IUPAC Name
(1
R
,2
S
,3
S
,4
R
,4a
S
,8a
S
)-
4-
[(1
E
,3
Z
)-
5-
methoxy-
3-
methylpenta-
1,3-
dien-
1-
yl]-
3,4a,8,8-
tetramethyldecahydronaphthalene-
1,2,3-
triol
Manual Xref
Database
C00045083
KNApSAcK
View more database links
Registry Numbers
Types
Sources
638198-85-3
CAS Registry Number
KNApSAcK
9729242
Reaxys Registry Number
Reaxys
Last Modified
05 December 2016