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ChEBI
> Main
CHEBI:75514 - isoorientin 7-
O
-glucoside
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ChEBI Name
isoorientin 7-
O
-glucoside
ChEBI ID
CHEBI:75514
ChEBI ASCII Name
isoorientin 7-O-glucoside
Definition
A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a glucosyl residue.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H30O16
Net Charge
0
Average Mass
610.51750
Monoisotopic Mass
610.15338
InChI
InChI=1S/C27H30O16/c28-
6-
15-
19(33)
22(36)
24(38)
26(41-
15)
18-
14(42-
27-
25(39)
23(37)
20(34)
16(7-
29)
43-
27)
5-
13-
17(21(18)
35)
11(32)
4-
12(40-
13)
8-
1-
2-
9(30)
10(31)
3-
8/h1-
5,15-
16,19-
20,22-
31,33-
39H,6-
7H2/t15-
,16-
,19-
,20-
,22+,23+,24-
,25-
,26+,27?/m1/s1
InChIKey
OQKYVRDRDIXQMK-UAMQNUGASA-N
SMILES
OC[C@H]
1OC(Oc2cc3oc(cc(=O)
c3c(O)
c2[C@@H]
2O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
2O)
-
c2ccc(O)
c(O)
c2)
[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
isoorientin 7-
O
-glucoside (
CHEBI:75514
)
has functional parent
isoorientin (
CHEBI:17965
)
isoorientin 7-
O
-glucoside (
CHEBI:75514
)
has role
metabolite (
CHEBI:25212
)
isoorientin 7-
O
-glucoside (
CHEBI:75514
)
is a
C
-glycosyl compound (
CHEBI:20857
)
isoorientin 7-
O
-glucoside (
CHEBI:75514
)
is a
glycosyloxyflavone (
CHEBI:50018
)
isoorientin 7-
O
-glucoside (
CHEBI:75514
)
is a
monosaccharide derivative (
CHEBI:63367
)
isoorientin 7-
O
-glucoside (
CHEBI:75514
)
is a
trihydroxyflavone (
CHEBI:27116
)
IUPAC Name
(1
S
)-
1,5-
anhydro-
1-
[2-
(3,4-
dihydroxyphenyl)-
7-
(
D
-
glucopyranosyloxy)-
5-
hydroxy-
4-
oxo-
4
H
-
chromen-
6-
yl]-
D
-
glucitol
Registry Number
Type
Source
6627319
Reaxys Registry Number
Reaxys
Last Modified
21 November 2013