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ChEBI
> Main
CHEBI:31227 - apigenin 7-
O
-neohesperidoside
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ChEBI Ontology
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ChEBI Name
apigenin 7-
O
-neohesperidoside
ChEBI ID
CHEBI:31227
ChEBI ASCII Name
apigenin 7-O-neohesperidoside
Definition
An apigenin derivative having an α-(1→2)-
L
-rhamnopyranosyl)-β-
D
-glucopyranosyl moiety attached to the 7-hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Wikipedia
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Read full article at Wikipedia
Formula
C27H30O14
Net Charge
0
Average Mass
578.51870
Monoisotopic Mass
578.16356
InChI
InChI=1S/C27H30O14/c1-
10-
20(32)
22(34)
24(36)
26(37-
10)
41-
25-
23(35)
21(33)
18(9-
28)
40-
27(25)
38-
13-
6-
14(30)
19-
15(31)
8-
16(39-
17(19)
7-
13)
11-
2-
4-
12(29)
5-
3-
11/h2-
8,10,18,20-
30,32-
36H,9H2,1H3/t10-
,18+,20-
,21+,22+,23-
,24+,25+,26-
,27+/m0/s1
InChIKey
RPMNUQRUHXIGHK-PYXJVEIZSA-N
SMILES
C[C@@H]
1O[C@@H]
(O[C@H]
2[C@@H]
(O[C@H]
(CO)
[C@@H]
(O)
[C@@H]
2O)
Oc2cc(O)
c3c(c2)
oc(cc3=O)
-
c2ccc(O)
cc2)
[C@H]
(O)
[C@H]
(O)
[C@H]
1O
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
apigenin 7-
O
-neohesperidoside (
CHEBI:31227
)
has functional parent
apigenin (
CHEBI:18388
)
apigenin 7-
O
-neohesperidoside (
CHEBI:31227
)
has role
metabolite (
CHEBI:25212
)
apigenin 7-
O
-neohesperidoside (
CHEBI:31227
)
is a
dihydroxyflavone (
CHEBI:38686
)
apigenin 7-
O
-neohesperidoside (
CHEBI:31227
)
is a
glycosyloxyflavone (
CHEBI:50018
)
apigenin 7-
O
-neohesperidoside (
CHEBI:31227
)
is a
neohesperidoside (
CHEBI:25495
)
IUPAC Name
5-
hydroxy-
2-
(4-
hydroxyphenyl)-
4-
oxo-
4
H
-
chromen-
7-
yl 2-
O
-
(α-
L
-
rhamnopyranosyl)-
β-
D
-
glucopyranoside
Synonyms
Sources
7-
((2-
O-
(6-
Deoxy-
alpha-
L-
mannopyranosyl)-
beta-
D-
glucopyranosyl)oxy)-
5-
hydroxy-
2-
(4-
hydroxyphenyl)-
4H-
benzopyran-
4-
one
ChemIDplus
Apigenin 7-O-neohesperidoside
KEGG COMPOUND
Apigenin-7-O-rhamnoglucoside
ChemIDplus
Rhoifolin
KEGG COMPOUND
Rhoifoloside
KEGG COMPOUND
Manual Xrefs
Databases
APIGENIN-7-O-NEOHESPERIDOSIDE
MetaCyc
C00004157
KNApSAcK
C12627
KEGG COMPOUND
HMDB0038848
HMDB
LSM-20984
LINCS
Rhoifolin
Wikipedia
View more database links
Registry Numbers
Types
Sources
17306-46-6
CAS Registry Number
ChemIDplus
17306-46-6
CAS Registry Number
KEGG DRUG
73879
Reaxys Registry Number
Reaxys
73879
Beilstein Registry Number
Beilstein
Citations
Types
Sources
15631081
PubMed citation
Europe PMC
15974126
PubMed citation
Europe PMC
19771866
PubMed citation
Europe PMC
20222420
PubMed citation
Europe PMC
Last Modified
18 November 2016