| Number |
qtl-m1446 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
303.1 |
| Product ions(Q3) |
153.1 |
| Main fragments |
|
| Compound |
Tricetin |
| Identification |
putative |
| class |
Flavonoid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:507499 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
307745;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
520-31-0;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
tricetin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
Flavone hydroxylated at positions 3', 4', 5, 5' and 7.;; |
| DrugBank Database Links |
DB08230;; |
| Formulae |
C15H10O7;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| InChI |
InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H;; |
| InChIKey |
ARSRJFRKVXALTF-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 |
LMPK12110847;; |
| Last Modified |
28 Jul 2014;; |
| Mass |
302.23570;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
87351625;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
23352409;;21067180;;19705844;;16730127;;12440738;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1;; |
| Secondary ChEBI ID |
CHEBI:9680;;CHEBI:44171;; |
| Star |
3;; |
| Synonyms |
3',4',5,5',7-pentahydroxyflavone;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9XGP7;;Q84N28;;Q7F8T6;;Q38J50;; |
| ChEBI Image |
 |
| |
|
