| 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 |
|
| ArrayExpress Database Links |
|
| 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 |
|
| CiteXplore Citation Links |
|
| 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 |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| 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 |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| 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 |
 |
| |
|
