Detail Information

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
Agricola Citation Links
ArrayExpress Database Links
Beilstein Registry Numbers 351695;;
BioModels Database Links
CAS Registry Numbers 481-53-8;;
COMe Database Links
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
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;;
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