| Number |
mr1002 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
14.44 |
| Precursor ions(Q1) |
287.1 |
| Product ions(Q3) |
167.1 |
| Main fragments |
167.1, 153.2 |
| Compound |
Sakuranetin |
| Identification |
standard |
| class |
Flavonoid |
| Organism |
|
| Reference |
|
| CV(%) |
371.94 |
| H2 |
0.78 |
| ChEBI_ID |
CHEBI:28927 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
92466;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
sakuranetin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A flavonoid phytoalexin that is (S)-naringenin in which the hydroxy group at position 7 is replaced by a methoxy group.;; |
| DrugBank Database Links |
|
| Formulae |
C16H14O5;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one;; |
| InChI |
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1;; |
| InChIKey |
DJOJDHGQRNZXQQ-AWEZNQCLSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 2.1.1.232;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPK12140571;; |
| Last Modified |
05 Jun 2015;; |
| Mass |
286.27936;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
SAK;; |
| Patent Database Links |
US2007224301;;US2003157197;; |
| PubChem Database Links |
49658592;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
23170811;;22895058;;22512738;;22148193;;18522800;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:31539;; |
| SABIO-RK Database Links |
|
| SMILES |
COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)cc1;; |
| Secondary ChEBI ID |
CHEBI:25487;;CHEBI:8999;; |
| Star |
3;; |
| Synonyms |
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one;;4',5-dihydroxy-7-methoxyflavanone;;(S)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one;;(S)-(-)-4',5-dihydroxy-7-methoxyflavanone;;(2S)-sakuranetin;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q6ZD89;;Q0IP69;; |
| ChEBI Image |
 |
| |
|
