EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192624 - 4-Methylumbelliferyl-alpha-D-glucopyranoside

ChEBI IDCHEBI:192624
ChEBI Name4-Methylumbelliferyl-alpha-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O8
Net Charge0
Average Mass338.312
Monoisotopic Mass338.10017
SMILESCc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
InChIInChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1
InChIKeyYUDPTGPSBJVHCN-JZYAIQKZSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
4-Methylumbelliferyl-alpha-D-glucopyranoside (CHEBI:192624) is a coumarins (CHEBI:23403)
4-Methylumbelliferyl-alpha-D-glucopyranoside (CHEBI:192624) is a glycoside (CHEBI:24400)
IUPAC Name 
4-methyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Manual XrefsDatabases
78777ChemSpider
Registry NumbersSources
CAS:17833-43-1ChemIDplus