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CHEBI:177698 - skimmin

ChEBI IDCHEBI:177698
ChEBI Nameskimmin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O8
Net Charge0
Average Mass324.285
Monoisotopic Mass324.08452
SMILESO=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
InChIInChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1
InChIKeyVPAOSFFTKWUGAD-TVKJYDDYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
skimmin (CHEBI:177698) is a coumarins (CHEBI:23403)
skimmin (CHEBI:177698) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Manual XrefsDatabases
90069ChemSpider
Registry NumbersSources
CAS:93-39-0ChemIDplus