| Number |
qtl-m0244 |
| Declustering Potential(DP) |
20 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
357.1332 |
| Exact mass(Da) |
357.1333 |
| Accurate mass error(ppm) |
0.18 |
| Molecular formula |
C20H20O6 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
357.2 |
| Product ions(Q3) |
247.2 |
| Main fragments |
247.2, 339.0, 321.1, 307.2, 261.2 |
| Compound |
Kievitone |
| Identification |
putative |
| class |
Flavonoid |
| Organism |
|
| Reference |
Harborne et. al (1999) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16832 |
| Agricola Citation Links |
IND44293716;;IND23253127;; |
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
kievitone;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2' and 4' and a prenyl group at position 8.;; |
| DrugBank Database Links |
|
| Formulae |
C20H20O6;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one;; |
| InChI |
InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3;; |
| InChIKey |
MERHMOCEIBOOMA-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 4.2.1.95;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPK12050479;; |
| Last Modified |
28 Jul 2014;; |
| Mass |
356.36920;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
8143628;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
7794275;;21133423;;16665944;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:23604;; |
| SABIO-RK Database Links |
|
| SMILES |
CC(C)=CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O;; |
| Secondary ChEBI ID |
CHEBI:24984;;CHEBI:14493;;CHEBI:6135;; |
| Star |
3;; |
| Synonyms |
kievitone;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q00870;; |
| ChEBI Image |
 |
| |
|
