Detail Information

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