EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183491 - 2-Oxo-2H-chromen-7-yl 6-O-Beta-D-xylopyranosyl-Beta-D-glucopyranoside

ChEBI IDCHEBI:183491
ChEBI Name2-Oxo-2H-chromen-7-yl 6-O-Beta-D-xylopyranosyl-Beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O12
Net Charge0
Average Mass456.400
Monoisotopic Mass456.12678
SMILESO=c1ccc2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
InChIInChI=1S/C20H24O12/c21-10-6-28-19(17(26)14(10)23)29-7-12-15(24)16(25)18(27)20(32-12)30-9-3-1-8-2-4-13(22)31-11(8)5-9/h1-5,10,12,14-21,23-27H,6-7H2/t10-,12-,14+,15-,16+,17-,18-,19+,20-/m1/s1
InChIKeyFCJIWTZAADYCGI-LUFRPPBASA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
2-Oxo-2H-chromen-7-yl 6-O-Beta-D-xylopyranosyl-Beta-D-glucopyranoside (CHEBI:183491) is a coumarins (CHEBI:23403)
2-Oxo-2H-chromen-7-yl 6-O-Beta-D-xylopyranosyl-Beta-D-glucopyranoside (CHEBI:183491) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one
Manual XrefsDatabases
8248285ChemSpider