| Number |
qtl-m0302 |
| Declustering Potential(DP) |
20 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
341.1387 |
| Exact mass(Da) |
341.1384 |
| Accurate mass error(ppm) |
1.03 |
| Molecular formula |
C20H20O5 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
341.2 |
| Product ions(Q3) |
137.1 |
| Main fragments |
137.1, 323.3, 251.2, 219.2, 202.2, 114.1 |
| Compound |
6-Prenylnaringenin |
| Identification |
putative |
| class |
Flavonoid |
| Organism |
|
| Reference |
Matsuda et. al (2007) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:27566 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
68236-13-5;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
6-prenylnaringenin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A trihydroxyflavanone having a structure of naringenin prenylated at C-6.;; |
| DrugBank Database Links |
|
| Formulae |
C20H20O5;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| InChI |
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1;; |
| InChIKey |
YHWNASRGLKJRJJ-KRWDZBQOSA-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 |
28 Jul 2014;; |
| Mass |
340.36980;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
US2007218155;;US2005042318;;EP1543834;; |
| PubChem Database Links |
124403623;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1;; |
| Secondary ChEBI ID |
CHEBI:20756;;CHEBI:2234;; |
| Star |
3;; |
| Synonyms |
sophoraflavanone B;;(2S)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
B1B5P4;;B1B3P3;; |
| ChEBI Image |
 |
| |
|
