CHEBI:187956 - 5,7,2'-Trihydroxyflavone 7-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 5,7,2'-Trihydroxyflavone 7-glucuronide
ChEBI ID CHEBI:187956
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H18O11
Net Charge 0
Average Mass 446.364
Monoisotopic Mass 446.08491
InChI InChI=1S/C21H18O11/c22-10-4-2-1-3-9(10)13-7-12(24)15-11(23)5-8(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18?,19?,21+/m0/s1
InChIKey ZUWLOUKBEQEHEC-ZAJNMQHRSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C=4C(O)=CC=CC4)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 5,7,2'-Trihydroxyflavone 7-glucuronide (CHEBI:187956) is a flavonoids (CHEBI:72544)
5,7,2'-Trihydroxyflavone 7-glucuronide (CHEBI:187956) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(2-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual Xrefs Databases
24843203 ChemSpider
LMPK12110117 LIPID MAPS
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