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ChEBI
> Main
CHEBI:18200 - isoscoparin
Main
ChEBI Ontology
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ChEBI Name
isoscoparin
ChEBI ID
CHEBI:18200
Definition
A
C
-glycosyl compound that consists of chrysoeriol substituted by a 1,5-anhydro-
D
-glucitol moiety at position 6.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:24924, CHEBI:6057, CHEBI:14480
Supplier Information
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Formula
C22H22O11
Net Charge
0
Average Mass
462.40348
Monoisotopic Mass
462.11621
InChI
InChI=1S/C22H22O11/c1-
31-
13-
4-
8(2-
3-
9(13)
24)
12-
5-
10(25)
16-
14(32-
12)
6-
11(26)
17(19(16)
28)
22-
21(30)
20(29)
18(27)
15(7-
23)
33-
22/h2-
6,15,18,20-
24,26-
30H,7H2,1H3/t15-
,18-
,20+,21-
,22+/m1/s1
InChIKey
KOMUHHCFAXYRPO-DGHBBABESA-N
SMILES
COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1
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
isoscoparin (
CHEBI:18200
)
has functional parent
4',5,7-trihydroxy-3'-methoxyflavone (
CHEBI:16514
)
isoscoparin (
CHEBI:18200
)
has role
metabolite (
CHEBI:25212
)
isoscoparin (
CHEBI:18200
)
is a
C
-glycosyl compound (
CHEBI:20857
)
isoscoparin (
CHEBI:18200
)
is a
monomethoxyflavone (
CHEBI:25401
)
isoscoparin (
CHEBI:18200
)
is a
monosaccharide derivative (
CHEBI:63367
)
isoscoparin (
CHEBI:18200
)
is a
trihydroxyflavone (
CHEBI:27116
)
isoscoparin (
CHEBI:18200
)
is conjugate acid of
isoscoparin-7-olate (
CHEBI:58407
)
Incoming
2''-
O
-α-
L
-arabinopyranosylisoscoparin (
CHEBI:75396
)
has functional parent
isoscoparin (
CHEBI:18200
)
2''-
O
-β-
D
-glucosylisoscoparin (
CHEBI:75518
)
has functional parent
isoscoparin (
CHEBI:18200
)
2''-
O
-(4-sinapoylarabinosyl)isoscoparin (
CHEBI:75395
)
has functional parent
isoscoparin (
CHEBI:18200
)
7-
O
-β-
D
-glucosylisoscoparin (
CHEBI:75559
)
has functional parent
isoscoparin (
CHEBI:18200
)
7-
O
-(6-sinapoylglucosyl)isoscoparin (
CHEBI:75520
)
has functional parent
isoscoparin (
CHEBI:18200
)
7-
O
-[α-
L
-rhamnosyl-(1→2)-β-
D
-glucosyl]isoscoparin (
CHEBI:75433
)
has functional parent
isoscoparin (
CHEBI:18200
)
isoscoparin 2''-
O
-[6-(
E
)-feruloylglucoside] (
CHEBI:131831
)
has functional parent
isoscoparin (
CHEBI:18200
)
isoscoparin-7-olate (
CHEBI:58407
)
is conjugate base of
isoscoparin (
CHEBI:18200
)
IUPAC Name
(1
S
)-
1,5-
anhydro-
1-
[5,7-
dihydroxy-
2-
(4-
hydroxy-
3-
methoxyphenyl)-
4-
oxo-
4
H
-
chromen-
6-
yl]-
D
-
glucitol
Synonyms
Sources
C-Glucosyl-6 chrysoeriol
KEGG COMPOUND
Chrysoeriol 6-C-glucoside
KEGG COMPOUND
Isoscoparin
KEGG COMPOUND
Isoscoparin
KEGG COMPOUND
Manual Xrefs
Databases
C00001058
KNApSAcK
C05990
KEGG COMPOUND
C10096
KEGG COMPOUND
ISOSCOPARIN
MetaCyc
LMPK12110738
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1444632
Reaxys Registry Number
Reaxys
20013-23-4
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
17655145
PubMed citation
Europe PMC
18215689
PubMed citation
Europe PMC
22529049
PubMed citation
Europe PMC
464459
Chinese Abstracts citation
Europe PMC
Last Modified
18 November 2016