Number |
mr1058 |
Declustering Potential(DP) |
60 |
Collision Energy(CE) |
40 |
Observed mass(Da) |
331.0811 |
Exact mass(Da) |
331.0812 |
Accurate mass error(ppm) |
0.39 |
Molecular formula |
C17H14O7 |
Ionization model |
|
Ret. Time(min) |
11.85 |
Precursor ions(Q1) |
331.0811 |
Product ions(Q3) |
315.0 |
Main fragments |
315.0, 285.0, 258.0, 243.0, 153.0 |
Compound |
Tricin |
Identification |
standard |
class |
Flavonoid |
Organism |
|
Reference |
|
CV(%) |
97.15 |
H2 |
0.51 |
ChEBI_ID |
CHEBI:59979 |
Agricola Citation Links |
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ArrayExpress Database Links |
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BRAND Names |
|
Beilstein Registry Numbers |
322590;; |
BioModels Database Links |
|
CAS Registry Numbers |
520-32-1;; |
COMe Database Links |
|
ChEBI ID |
|
ChEBI Name |
3',5'-di-O-methyltricetin;; |
Charge |
0;; |
Chinese Abstracts Citation Links |
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CiteXplore Citation Links |
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Definition |
The 3',5'-di-O-methyl ether of tricetin. Known commonly as tricin, it is a constituent of rice bran and has been found to potently inhibit colon cancer cell growth.;; |
DrugBank Database Links |
|
Formulae |
C17H14O7;; |
Gmelin Registry Numbers |
|
INN |
|
IUPAC Names |
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one;; |
InChI |
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3;; |
InChIKey |
HRGUSFBJBOKSML-UHFFFAOYSA-N;; |
IntAct Database Links |
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IntEnz Database Links |
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KEGG COMPOUND Database Links |
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KEGG DRUG Database Links |
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KEGG GLYCAN Database Links |
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LIPID MAPS class Database Links |
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LIPID MAPS instance Database Links |
|
Last Modified |
10 Oct 2014;; |
Mass |
330.28890;; |
MolBase Database Links |
|
PDBeChem Database Links |
|
Patent Database Links |
|
PubChem Database Links |
99319532;; |
PubMed Central Citation Links |
|
PubMed Citation Links |
21469695;; |
RESID Database Links |
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Reactome Database Links |
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Rhea Database Links |
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SABIO-RK Database Links |
|
SMILES |
COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)cc(O)cc2o1;; |
Secondary ChEBI ID |
CHEBI:9694;; |
Star |
3;; |
Synonyms |
tricin;;Tricetin 3',5'-di-methyl ether;;5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one;;3',5'-Dimethoxy-4',5,7-trihydroxyflavone;; |
UM-BBD compID Database Links |
|
UniProt Database Links |
Q9XGP7;;Q7F8T6;; |
ChEBI Image |
![](http://www.ebi.ac.uk/chebi/displayImage.do?defaultImage=true&imageIndex=0&chebiId=CHEBI:59979&dimensions=400) |
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