| Number |
qtl-m1352 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
275 |
| Product ions(Q3) |
107 |
| Main fragments |
|
| Compound |
Phloretin |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:17276 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
60-82-2;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
phloretin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'.;; |
| DrugBank Database Links |
DB07810;; |
| Formulae |
C15H14O5;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;; |
| InChI |
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2;; |
| InChIKey |
VGEREEWJJVICBM-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 3.7.1.4;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPK12120525;; |
| Last Modified |
07 Jun 2016;; |
| Mass |
274.26866;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
US2008255228;;US2007225360;;US2006073223;;EP1925311;;EP1837056;;EP1818063;;EP1808172;;CN103230408;;CN102701938;; |
| PubChem Database Links |
8144209;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
7126563;;24487097;;23907072;;18767070;;18158826;;18063724;;16197573;;15671209;;12747217;;12083758;;12010860;;11823574;;11560962;;11487521;;11446716;;11197083;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:23396;; |
| SABIO-RK Database Links |
10721;;10553;; |
| SMILES |
Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1;; |
| Secondary ChEBI ID |
CHEBI:14787;;CHEBI:8111;;CHEBI:42649;;CHEBI:26014;; |
| Star |
3;; |
| Synonyms |
phloretin;;Phloretol;;Dihydronaringenin;;4-O-Methylphloracetophenone;;2,6-Dihydroxy-4-methoxyacetophenone;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9VVT2;;Q9JJJ3;;P56627;;O43315;; |
| ChEBI Image |
 |
| |
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