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ChEBI
> Main
CHEBI:85135 - formononetin 7-
O
-rutinoside
Main
ChEBI Ontology
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ChEBI Name
formononetin 7-
O
-rutinoside
ChEBI ID
CHEBI:85135
ChEBI ASCII Name
formononetin 7-O-rutinoside
Definition
A 4'-methoxyisoflavone that is the 7-
O
-rutinosyl derivative of formononetin.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C28H32O13
Net Charge
0
Average Mass
576.547
Monoisotopic Mass
576.18429
InChI
InChI=1S/C28H32O13/c1-
12-
20(29)
23(32)
25(34)
27(39-
12)
38-
11-
19-
22(31)
24(33)
26(35)
28(41-
19)
40-
15-
7-
8-
16-
18(9-
15)
37-
10-
17(21(16)
30)
13-
3-
5-
14(36-
2)
6-
4-
13/h3-
10,12,19-
20,22-
29,31-
35H,11H2,1-
2H3/t12-
,19+,20-
,22+,23+,24-
,25+,26+,27+,28+/m0/s1
InChIKey
ZSCRYAYQFLBRDF-ZUTPBCDKSA-N
SMILES
C12=CC(=CC=C2C(C(=CO1)
C=3C=CC(=CC3)
OC)
=O)
O[C@@H]
4O[C@@H]
([C@H]
([C@@H]
([C@H]
4O)
O)
O)
CO[C@H]
5[C@@H]
([C@@H]
([C@H]
([C@@H]
(O5)
C)
O)
O)
O
Metabolite of Species
Details
Centella asiatica
(NCBI:txid48106)
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
formononetin 7-
O
-rutinoside (
CHEBI:85135
)
has functional parent
formononetin (
CHEBI:18088
)
formononetin 7-
O
-rutinoside (
CHEBI:85135
)
has role
plant metabolite (
CHEBI:76924
)
formononetin 7-
O
-rutinoside (
CHEBI:85135
)
is a
4'-methoxyisoflavones (
CHEBI:133959
)
formononetin 7-
O
-rutinoside (
CHEBI:85135
)
is a
disaccharide derivative (
CHEBI:63353
)
formononetin 7-
O
-rutinoside (
CHEBI:85135
)
is a
rutinoside (
CHEBI:26587
)
IUPAC Name
3-
(4-
methoxyphenyl)-
4-
oxo-
4
H
-
chromen-
7-
yl 6-
O
-
(6-
deoxy-
α-
L
-
mannopyranosyl)-
β-
D
-
glucopyranoside
Synonyms
Sources
4'-
methoxyisoflavone-
7-
O
-
[α-
L
-
rhamnopyranosyl(1→6)]-
β-
D
-
glucopyranoside
ChEBI
Derriscanoside A
KNApSAcK
Manual Xref
Database
C00010081
KNApSAcK
View more database links
Registry Number
Type
Source
22934669
Reaxys Registry Number
Reaxys
Last Modified
17 November 2016