EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209322 - 4-methoxycarbonyl diorcinol-3-O-alpha-D-glucoside

ChEBI IDCHEBI:209322
ChEBI Name4-methoxycarbonyl diorcinol-3-O-alpha-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O10
Net Charge0
Average Mass450.440
Monoisotopic Mass450.15260
SMILESCOC(=O)c1c(C)cc(Oc2cc(C)cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O
InChIInChI=1S/C22H26O10/c1-10-4-12(30-14-6-11(2)17(15(24)8-14)21(28)29-3)7-13(5-10)31-22-20(27)19(26)18(25)16(9-23)32-22/h4-8,16,18-20,22-27H,9H2,1-3H3/t16-,18-,19+,20-,22+/m1/s1
InChIKeyIMZKVRDGBRNGJU-KQDNOMNESA-N
Species of MetaboliteComponentSourceComments
Aspergillus sydowii (ncbitaxon:75750) - PubMed (30453472)
ChEBI Ontology
Outgoing Relation(s)
4-methoxycarbonyl diorcinol-3-O-alpha-D-glucoside (CHEBI:209322) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 2-hydroxy-6-methyl-4-[3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]benzoate
Manual XrefsDatabases
71048758ChemSpider