EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186188 - Koaburanin

ChEBI IDCHEBI:186188
ChEBI NameKoaburanin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O8
Net Charge0
Average Mass404.415
Monoisotopic Mass404.14712
SMILESOCC1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccccc2)CC3)C(O)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyAAHNTCWRJBNODQ-WKYDCOPISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
24842649ChemSpider
LMPK12020253LIPID MAPS