CHEBI:186068 - Apuleirin

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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 Apuleirin
ChEBI ID CHEBI:186068
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20O9
Net Charge 0
Average Mass 404.371
Monoisotopic Mass 404.11073
InChI InChI=1S/C20H20O9/c1-24-12-8-11-14(19(27-4)15(12)22)16(23)20(28-5)17(29-11)9-6-10(21)18(26-3)13(7-9)25-2/h6-8,21-22H,1-5H3
InChIKey PUQUTQSJJJMRPS-UHFFFAOYSA-N
SMILES O1C=2C(C(=O)C(OC)=C1C=3C=C(OC)C(OC)=C(O)C3)=C(OC)C(O)=C(OC)C2
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 Apuleirin (CHEBI:186068) is a ether (CHEBI:25698)
Apuleirin (CHEBI:186068) is a flavonoids (CHEBI:72544)
IUPAC Name
6-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Manual Xrefs Databases
24843652 ChemSpider
LMPK12110620 LIPID MAPS
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