CHEBI:172612 - hesperetin 3'-O-sulfate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name hesperetin 3'-O-sulfate
ChEBI ID CHEBI:172612
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H14O9S
Net Charge 0
Average Mass 382.340
Monoisotopic Mass 382.03585
InChI InChI=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)
InChIKey AXWNOFHBYPBYNO-UHFFFAOYSA-N
SMILES S(OC=1C=C(C2OC=3C(C(=O)C2)=C(O)C=C(O)C3)C=CC1OC)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35032835 ChemSpider
HMDB0029202 HMDB
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