| Number |
mr1396 |
| Declustering Potential(DP) |
60 |
| Collision Energy(CE) |
40 |
| Observed mass(Da) |
373.1284 |
| Exact mass(Da) |
373.1282 |
| Accurate mass error(ppm) |
0.59 |
| Molecular formula |
C20H20O7 |
| Ionization model |
|
| Ret. Time(min) |
15.42 |
| Precursor ions(Q1) |
373.1284 |
| Product ions(Q3) |
343.3 |
| Main fragments |
343.3, 297.6, 271.6, 183.5 |
| Compound |
Tangeretin |
| Identification |
putative |
| class |
Flavonoid |
| Organism |
Aspergillus niger |
| Reference |
Buisson et. al (2007) |
| CV(%) |
122.99 |
| H2 |
0.39 |
| ChEBI_ID |
CHEBI:9400 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
351695;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
481-53-8;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
tangeretin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8.;; |
| DrugBank Database Links |
|
| Formulae |
C20H20O7;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one;; |
| InChI |
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3;; |
| InChIKey |
ULSUXBXHSYSGDT-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C10190 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPK12111443;; |
| Last Modified |
25 Feb 2016;; |
| Mass |
372.36860;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2007136428;;WO2007109071;;EP1847265;;EP1147764;;CN102344429;;CN101947215;; |
| PubChem Database Links |
17425145;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
23265538;;23254473;;23137376;;22850615;;22585555;;22476082;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
tangeritin;;Tangeretin;;5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;;5,6,7,8,4'-Pentamethoxyflavone;;4',5,6,7,8-pentamethoxyflavone;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
