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CHEBI:172612 - hesperetin 3'-O-sulfate

ChEBI IDCHEBI:172612
ChEBI Namehesperetin 3'-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O9S
Net Charge0
Average Mass382.346
Monoisotopic Mass382.03585
SMILESCOc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OS(=O)(=O)O
InChIInChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)
InChIKeyAXWNOFHBYPBYNO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
hesperetin 3'-O-sulfate (CHEBI:172612) is a ether (CHEBI:25698)
hesperetin 3'-O-sulfate (CHEBI:172612) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0029202HMDB
35032835ChemSpider