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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:5381 - glepidotin B
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ChEBI Name
glepidotin B
ChEBI ID
CHEBI:5381
Definition
A trihydroxyflavanone that is (2
S
)-flavanone substituted by hydroxy groups at positions 3, 5 and 7 and a prenyl group at position 8 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H20O5
Net Charge
0
Average Mass
340.36980
Monoisotopic Mass
340.13107
InChI
InChI=1S/C20H20O5/c1-
11(2)
8-
9-
13-
14(21)
10-
15(22)
16-
17(23)
18(24)
19(25-
20(13)
16)
12-
6-
4-
3-
5-
7-
12/h3-
8,10,18-
19,21-
22,24H,9H2,1-
2H3/t18-
,19+/m0/s1
InChIKey
ATJOIGKHVRPLSM-RBUKOAKNSA-N
SMILES
CC(C)=CCc1c(O)cc(O)c2C(=O)[C@H](O)[C@H](Oc12)c1ccccc1
Metabolite of Species
Details
Glycyrrhiza lepidota
(NCBI:txid47080)
See:
PubMed
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
glepidotin B (
CHEBI:5381
)
has functional parent
(2
S
)-flavanone (
CHEBI:15606
)
glepidotin B (
CHEBI:5381
)
has role
plant metabolite (
CHEBI:76924
)
glepidotin B (
CHEBI:5381
)
is a
dihydroflavonols (
CHEBI:48039
)
glepidotin B (
CHEBI:5381
)
is a
secondary α-hydroxy ketone (
CHEBI:2468
)
glepidotin B (
CHEBI:5381
)
is a
trihydroxyflavanone (
CHEBI:38739
)
IUPAC Name
(2
R
,3
R
)-
3,5,7-
trihydroxy-
8-
(3-
methylbut-
2-
en-
1-
yl)-
2-
phenyl-
2,3-
dihydro-
4
H
-
1-
benzopyran-
4-
one
Manual Xrefs
Databases
C00008607
KNApSAcK
C09753
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
87440-56-0
CAS Registry Number
KEGG COMPOUND
8938106
Reaxys Registry Number
Reaxys
Citation
Type
Source
11524125
PubMed citation
Europe PMC
Last Modified
06 February 2018