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 |
|
|
|