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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:75353 - tricin 7-
O
-[sinapoyl]-glucoside
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ChEBI Ontology
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ChEBI Name
tricin 7-
O
-[sinapoyl]-glucoside
ChEBI ID
CHEBI:75353
ChEBI ASCII Name
tricin 7-O-[sinapoyl]-glucoside
Definition
A glycosyloxyflavone that is tricin 7-
O
-glucoside with the hydroxy group on the glycosyl ring at position 6 replaced with a sinapoyl moiety.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C34H34O16
Net Charge
0
Average Mass
698.62420
Monoisotopic Mass
698.18469
InChI
InChI=1S/C34H34O16/c1-
43-
22-
7-
15(8-
23(44-
2)
29(22)
38)
5-
6-
27(37)
47-
14-
26-
31(40)
32(41)
33(42)
34(50-
26)
48-
17-
11-
18(35)
28-
19(36)
13-
20(49-
21(28)
12-
17)
16-
9-
24(45-
3)
30(39)
25(10-
16)
46-
4/h5-
13,26,31-
35,38-
42H,14H2,1-
4H3/b6-
5+/t26-
,31-
,32+,33-
,34?/m1/s1
InChIKey
XVUNCAZNCGHDHS-XICCDIAPSA-N
SMILES
COc1cc(\C=C\C(=O)
OC[C@H]
2OC(Oc3cc(O)
c4c(c3)
oc(cc4=O)
-
c3cc(OC)
c(O)
c(OC)
c3)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
2O)
cc(OC)
c1O
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
tricin 7-
O
-[sinapoyl]-glucoside (
CHEBI:75353
)
has functional parent
trans
-sinapic acid (
CHEBI:15714
)
tricin 7-
O
-[sinapoyl]-glucoside (
CHEBI:75353
)
has functional parent
tricin 7-
O
-glucoside (
CHEBI:75349
)
tricin 7-
O
-[sinapoyl]-glucoside (
CHEBI:75353
)
has role
metabolite (
CHEBI:25212
)
tricin 7-
O
-[sinapoyl]-glucoside (
CHEBI:75353
)
is a
D
-glucoside (
CHEBI:35436
)
tricin 7-
O
-[sinapoyl]-glucoside (
CHEBI:75353
)
is a
cinnamate ester (
CHEBI:36087
)
tricin 7-
O
-[sinapoyl]-glucoside (
CHEBI:75353
)
is a
dihydroxyflavone (
CHEBI:38686
)
tricin 7-
O
-[sinapoyl]-glucoside (
CHEBI:75353
)
is a
dimethoxyflavone (
CHEBI:23798
)
tricin 7-
O
-[sinapoyl]-glucoside (
CHEBI:75353
)
is a
glycosyloxyflavone (
CHEBI:50018
)
tricin 7-
O
-[sinapoyl]-glucoside (
CHEBI:75353
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
5-
hydroxy-
2-
(4-
hydroxy-
3,5-
dimethoxyphenyl)-
4-
oxo-
4
H
-
chromen-
7-
yl 6-
O
-
[(2
E
)-
3-
(4-
hydroxy-
3,5-
dimethoxyphenyl)prop-
2-
enoyl]-
D
-
glucopyranoside
Last Modified
02 September 2013