CHEBI:185574 - 5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-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 5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
ChEBI ID CHEBI:185574
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H22O13
Net Charge 0
Average Mass 506.416
Monoisotopic Mass 506.10604
InChI InChI=1S/C23H22O13/c1-32-13-7-10(26)14-9(25)6-12(34-20(14)19(13)33-2)15-8(24)4-3-5-11(15)35-23-18(29)16(27)17(28)21(36-23)22(30)31/h3-7,16-18,21,23-24,26-29H,1-2H3,(H,30,31)/t16?,17-,18?,21+,23+/m0/s1
InChIKey MBIYPXWFHDINAY-FDEBGMCYSA-N
SMILES O1[C@H]([C@@H](O)C(O)C(O)[C@@H]1OC=2C(C=3OC4=C(C(=O)C3)C(O)=CC(OC)=C4OC)=C(O)C=CC2)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide (CHEBI:185574) is a ether (CHEBI:25698)
5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide (CHEBI:185574) is a flavonoids (CHEBI:72544)
IUPAC Name
(2R,3S,6S)-3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
Manual Xrefs Databases
24844184 ChemSpider
LMPK12111296 LIPID MAPS
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