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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:131777 - tricin 7-
O
-neohesperidoside
Main
ChEBI Ontology
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ChEBI Name
tricin 7-
O
-neohesperidoside
ChEBI ID
CHEBI:131777
ChEBI ASCII Name
tricin 7-O-neohesperidoside
Definition
A glycosyloxyflavone that is 3',5'-di-
O
-methyltricetin (tricin) in which the phenolic hydrogen at position 7 has been replaced by a neohesperidosyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C29H34O16
Net Charge
0
Average Mass
638.572
Monoisotopic Mass
638.18469
InChI
InChI=1S/C29H34O16/c1-
10-
21(33)
24(36)
26(38)
28(41-
10)
45-
27-
25(37)
23(35)
19(9-
30)
44-
29(27)
42-
12-
6-
13(31)
20-
14(32)
8-
15(43-
16(20)
7-
12)
11-
4-
17(39-
2)
22(34)
18(5-
11)
40-
3/h4-
8,10,19,21,23-
31,33-
38H,9H2,1-
3H3/t10-
,19+,21-
,23+,24+,25-
,26+,27+,28-
,29+/m0/s1
InChIKey
AIBMPOJXBGZIPQ-QWNFCSOYSA-N
SMILES
[C@H]
1(O[C@H]
([C@@H]
([C@H]
([C@H]
1O)
O)
O)
C)
O[C@H]
2[C@@H]
(O[C@@H]
([C@H]
([C@@H]
2O)
O)
CO)
OC3=CC4=C(C(C=C(O4)
C5=CC(=C(C(=C5)
OC)
O)
OC)
=O)
C(=C3)
O
Metabolite of Species
Details
Oryza sativa
(NCBI:txid4530)
Found in seed See:
MetaboLights Study
Oryza sativa
(NCBI:txid4530)
Found in seed See:
PubMed
Saccharum officinarum
(NCBI:txid4547)
See:
PubMed
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
tricin 7-
O
-neohesperidoside (
CHEBI:131777
)
has functional parent
3',5'-di-
O
-methyltricetin (
CHEBI:59979
)
tricin 7-
O
-neohesperidoside (
CHEBI:131777
)
has role
plant metabolite (
CHEBI:76924
)
tricin 7-
O
-neohesperidoside (
CHEBI:131777
)
is a
dihydroxyflavone (
CHEBI:38686
)
tricin 7-
O
-neohesperidoside (
CHEBI:131777
)
is a
dimethoxyflavone (
CHEBI:23798
)
tricin 7-
O
-neohesperidoside (
CHEBI:131777
)
is a
glycosyloxyflavone (
CHEBI:50018
)
tricin 7-
O
-neohesperidoside (
CHEBI:131777
)
is a
neohesperidoside (
CHEBI:25495
)
tricin 7-
O
-neohesperidoside (
CHEBI:131777
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
5-
hydroxy-
2-
(4-
hydroxy-
3,5-
dimethoxyphenyl)-
4-
oxo-
4
H
-
1-
benzopyran-
7-
yl 2-
O
-
(6-
deoxy-
α-
L
-
mannopyranosyl)-
β-
D
-
glucopyranoside
Synonyms
Sources
7-
O
-
[α-
L
-
rhamnopyranosyl-
(1→2)-
β-
D
-
glucopyranosyl]tricin
ChEBI
7-
O
-[α-
L
-rhamnosyl-(1→2)-β-
D
-glucosyl]tricin
ChEBI
Tricin 7-neohesperidoside
LIPID MAPS
Manual Xrefs
Databases
C00004462
KNApSAcK
HMDB0037462
HMDB
LMPK12110862
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
53766-40-8
CAS Registry Number
KNApSAcK
5843908
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17019935
PubMed citation
Europe PMC
19628235
PubMed citation
Europe PMC
26860358
PubMed citation
Europe PMC
Last Modified
18 November 2016