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CHEBI:184538 - Apigeniflavan 5-O-xyloside

Default Structure
ChEBI IDCHEBI:184538
ChEBI NameApigeniflavan 5-O-xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O8
Net Charge0
Average Mass390.388
Monoisotopic Mass390.13147
SMILESOc1ccc([C@@H]2CCc3c(O[C@@H]4OC[C@@H](O)[C@H](O)C4O)cc(O)cc3O2)cc1
InChIInChI=1S/C20H22O8/c21-11-3-1-10(2-4-11)15-6-5-13-16(27-15)7-12(22)8-17(13)28-20-19(25)18(24)14(23)9-26-20/h1-4,7-8,14-15,18-25H,5-6,9H2/t14-,15+,18+,19?,20+/m1/s1
InChIKeyVPEUIUGPXMAUGW-XZOPPUQASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Apigeniflavan 5-O-xyloside (CHEBI:184538) is a flavonoids (CHEBI:72544)
Apigeniflavan 5-O-xyloside (CHEBI:184538) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,4S,5R)-2-[[(2S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-5-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
24842654ChemSpider
LMPK12020261LIPID MAPS