CHEBI:177255 - Hesperetin 3'-O-glucuronide

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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-glucuronide
ChEBI ID CHEBI:177255
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H22O12
Net Charge 0
Average Mass 478.406
Monoisotopic Mass 478.11113
InChI InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17-,18-,19+,20-,22+/m0/s1
InChIKey PJAUEKWZQWLQSU-WDXLFLMVSA-N
SMILES O1[C@@H](OC=2C=C(C3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=CC2OC)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Hesperetin 3'-O-glucuronide (CHEBI:177255) is a β-D-glucosiduronic acid (CHEBI:15341)
Hesperetin 3'-O-glucuronide (CHEBI:177255) is a flavonoids (CHEBI:72544)
IUPAC Name
(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
32056973 ChemSpider
HMDB0041743 HMDB
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