EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175961 - 2'-Oxoaloesol 7-glucoside

ChEBI IDCHEBI:175961
ChEBI Name2'-Oxoaloesol 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O9
Net Charge0
Average Mass394.376
Monoisotopic Mass394.12638
SMILESCC(=O)Cc1cc(=O)c2c(C)cc(OC3OC(CO)C(O)C(O)C3O)cc2o1
InChIInChI=1S/C19H22O9/c1-8-3-10(27-19-18(25)17(24)16(23)14(7-20)28-19)6-13-15(8)12(22)5-11(26-13)4-9(2)21/h3,5-6,14,16-20,23-25H,4,7H2,1-2H3
InChIKeyAXUMVWMPQJNZRE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2'-Oxoaloesol 7-glucoside (CHEBI:175961) is a glycoside (CHEBI:24400)
IUPAC Name 
5-methyl-2-(2-oxopropyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
HMDB0035734HMDB