EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184546 - Afzelechin 7-O-beta-D-apiofuranoside

ChEBI IDCHEBI:184546
ChEBI NameAfzelechin 7-O-beta-D-apiofuranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESOC[C@@]1(O)CO[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H](O)C3)[C@@H]1O
InChIInChI=1S/C20H22O9/c21-8-20(26)9-27-19(18(20)25)28-12-5-14(23)13-7-15(24)17(29-16(13)6-12)10-1-3-11(22)4-2-10/h1-6,15,17-19,21-26H,7-9H2/t15-,17+,18-,19-,20+/m0/s1
InChIKeyBJBAEYMVZJJUEM-AXDKOMKPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Afzelechin 7-O-beta-D-apiofuranoside (CHEBI:184546) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
(2R,3S)-7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol
Manual XrefsDatabases
24842513ChemSpider
LMPK12020031LIPID MAPS