CHEBI:184530 - Acacetin 7-(6''-methylglucuronide)

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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 Acacetin 7-(6''-methylglucuronide)
ChEBI ID CHEBI:184530
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H22O11
Net Charge 0
Average Mass 474.418
Monoisotopic Mass 474.11621
InChI InChI=1S/C23H22O11/c1-30-11-5-3-10(4-6-11)15-9-14(25)17-13(24)7-12(8-16(17)33-15)32-23-20(28)18(26)19(27)21(34-23)22(29)31-2/h3-9,18-21,23-24,26-28H,1-2H3/t18-,19-,20?,21?,23+/m0/s1
InChIKey NCDRCVIENURMRZ-GHZYCHRDSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C(OC)=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 Acacetin 7-(6''-methylglucuronide) (CHEBI:184530) is a flavonoids (CHEBI:72544)
Acacetin 7-(6''-methylglucuronide) (CHEBI:184530) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
methyl (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
Manual Xrefs Databases
24843487 ChemSpider
LMPK12110448 LIPID MAPS
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