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> Main
CHEBI:9369 - swertiajaponin
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ChEBI Name
swertiajaponin
ChEBI ID
CHEBI:9369
Definition
A flavone
C
-glycoside that is isoorientin in which the hydroxy group at position 7 is replaced by a methoxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H24O11
Net Charge
0
Average Mass
464.41940
Monoisotopic Mass
464.13186
InChI
InChI=1S/C22H24O11/c1-
31-
13-
6-
14-
16(11(26)
5-
12(32-
14)
8-
2-
3-
9(24)
10(25)
4-
8)
19(28)
17(13)
22-
21(30)
20(29)
18(27)
15(7-
23)
33-
22/h2-
6,14-
16,18,20-
25,27-
30H,7H2,1H3/t14?,15-
,16?,18-
,20+,21-
,22+/m1/s1
InChIKey
UMWNGGYPGAHOPP-IBKWXVHQSA-N
SMILES
COC1=CC2OC(=CC(=O)C2C(O)=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1
Metabolite of Species
Details
Swertia japonica
(NCBI:txid137129)
See:
PubMed
Cymbopogon citratus
(NCBI:txid66014)
See:
PubMed
Zantedeschia aethiopica
(NCBI:txid69721)
See:
PubMed
ChEBI Ontology
Outgoing
swertiajaponin (
CHEBI:9369
)
has functional parent
isoorientin (
CHEBI:17965
)
swertiajaponin (
CHEBI:9369
)
is a
flavone
C
-glycoside (
CHEBI:83280
)
swertiajaponin (
CHEBI:9369
)
is a
monomethoxyflavone (
CHEBI:25401
)
swertiajaponin (
CHEBI:9369
)
is a
trihydroxyflavone (
CHEBI:27116
)
IUPAC Name
(1
S
)-
1,5-
anhydro-
1-
[2-
(3,4-
dihydroxyphenyl)-
5-
hydroxy-
7-
methoxy-
4-
oxo-
4a,8a-
dihydro-
4
H
-
1-
benzopyran-
6-
yl]-
D
-
glucitol
Synonyms
Sources
6-
C
-β-
D
-glucopyranosyl-7-
O
-methylluteolin
ChEBI
7-
O
-methylisoorientin
ChEBI
Leucanthoside
LIPID MAPS
Manual Xrefs
Databases
C00001102
KNApSAcK
C10187
KEGG COMPOUND
HMDB0030569
HMDB
LMPK12111030
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1360155
Reaxys Registry Number
Reaxys
6980-25-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19924037
PubMed citation
Europe PMC
23413560
PubMed citation
Europe PMC
25924520
PubMed citation
Europe PMC
5583807
PubMed citation
Europe PMC
Last Modified
02 June 2015