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ChEBI
> Main
CHEBI:81056 - methyl hesperidin
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ChEBI Ontology
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ChEBI Name
methyl hesperidin
ChEBI ID
CHEBI:81056
Definition
A flavanone glycoside that is hesperidin in which the hydroxy group at position 3' has been replaced by a methoxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C29H36O15
Net Charge
0
Average Mass
624.58710
Monoisotopic Mass
624.20542
InChI
InChI=1S/C29H36O15/c1-
11-
22(32)
24(34)
26(36)
28(41-
11)
40-
10-
20-
23(33)
25(35)
27(37)
29(44-
20)
42-
13-
7-
14(30)
21-
15(31)
9-
17(43-
19(21)
8-
13)
12-
4-
5-
16(38-
2)
18(6-
12)
39-
3/h4-
8,11,17,20,22-
30,32-
37H,9-
10H2,1-
3H3/t11-
,17-
,20+,22-
,23+,24+,25-
,26+,27+,28+,29+/m0/s1
InChIKey
GUMSHIGGVOJLBP-SLRPQMTOSA-N
SMILES
COc1ccc(cc1OC)
[C@@H]
1CC(=O)
c2c(O)
cc(O[C@@H]
3O[C@H]
(CO[C@@H]
4O[C@@H]
(C)
[C@H]
(O)
[C@@H]
(O)
[C@H]
4O)
[C@@H]
(O)
[C@H]
(O)
[C@H]
3O)
cc2O1
ChEBI Ontology
Outgoing
methyl hesperidin (
CHEBI:81056
)
has functional parent
hesperidin (
CHEBI:28775
)
methyl hesperidin (
CHEBI:81056
)
is a
3'-methoxyflavanones (
CHEBI:140351
)
methyl hesperidin (
CHEBI:81056
)
is a
4'-methoxyflavanones (
CHEBI:140332
)
methyl hesperidin (
CHEBI:81056
)
is a
dimethoxyflavanone (
CHEBI:38743
)
methyl hesperidin (
CHEBI:81056
)
is a
disaccharide derivative (
CHEBI:63353
)
methyl hesperidin (
CHEBI:81056
)
is a
flavanone glycoside (
CHEBI:72730
)
methyl hesperidin (
CHEBI:81056
)
is a
monohydroxyflavanone (
CHEBI:38748
)
methyl hesperidin (
CHEBI:81056
)
is a
rutinoside (
CHEBI:26587
)
IUPAC Name
(2
S
)-
2-
(3,4-
dimethoxyphenyl)-
5-
hydroxy-
4-
oxo-
3,4-
dihydro-
2
H
-
1-
benzopyran-
7-
yl 6-
O
-
(6-
deoxy-
α-
L
-
mannopyranosyl)-
β-
D
-
glucopyranoside
Manual Xref
Database
C17393
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
11013-97-1
CAS Registry Number
ChemIDplus
75254
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19326773
PubMed citation
Europe PMC
5632073
PubMed citation
Europe PMC
Last Modified
09 April 2018