| Number |
qtl-m1010 |
| Declustering Potential(DP) |
60 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
345.0971 |
| Exact mass(Da) |
345.0969 |
| Accurate mass error(ppm) |
0.64 |
| Molecular formula |
C18H16O7 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
345.2 |
| Product ions(Q3) |
177.2 |
| Main fragments |
177.2, 149.3, 145.2 |
| Compound |
Ayanin |
| Identification |
putative |
| class |
Flavonoid |
| Organism |
|
| Reference |
Mors et. al (2001) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:27825 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
3',5-dihydroxy-3,4',7-trimethoxyflavone;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A trimethoxyflavone that is quercetin in which the hydroxy groups at positions 3, 4' and 7 have been replaced by methoxy groups.;; |
| DrugBank Database Links |
|
| Formulae |
C18H16O7;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one;; |
| InChI |
InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3;; |
| InChIKey |
KPCRYSMUMBNTCK-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 |
26 May 2015;; |
| Mass |
344.31540;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
8145578;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
21275386;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O;; |
| Secondary ChEBI ID |
CHEBI:1332;;CHEBI:19836;;CHEBI:11676;; |
| Star |
3;; |
| Synonyms |
ayanin;;3',5-dihydroxy-3,4',7-trimethoxy-flavone;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
