CHEBI:186188 - Koaburanin

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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 Koaburanin
ChEBI ID CHEBI:186188
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H24O8
Net Charge 0
Average Mass 404.415
Monoisotopic Mass 404.14712
InChI InChI=1S/C21H24O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-8-14(23)13-6-7-15(28-16(13)9-12)11-4-2-1-3-5-11/h1-5,8-9,15,17-26H,6-7,10H2/t15?,17?,18-,19+,20?,21-/m1/s1
InChIKey AAHNTCWRJBNODQ-WKYDCOPISA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(CCC3=C(O)C2)C4=CC=CC=C4)CO
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 Koaburanin (CHEBI:186188) is a flavonoids (CHEBI:72544)
Koaburanin (CHEBI:186188) is a glycoside (CHEBI:24400)
IUPAC Name
(3S,4S,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]oxane-3,4,5-triol
Manual Xrefs Databases
24842649 ChemSpider
LMPK12020253 LIPID MAPS
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