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CHEBI:176869 - aloenin

Default Structure
ChEBI IDCHEBI:176869
ChEBI Namealoenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O10
Net Charge0
Average Mass410.375
Monoisotopic Mass410.12130
SMILESCOc1cc(-c2c(C)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)oc(=O)c1
InChIInChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1
InChIKeyKFJNVVJUICKJEQ-LQDZTQBFSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma congolense (ncbitaxon:5692) Whole Organism (NCIT:C13413) MetaboLights (MTBLS2372)
ChEBI Ontology
Outgoing Relation(s)
aloenin (CHEBI:176869) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
Manual XrefsDatabases
142526ChemSpider
Registry NumbersSources
CAS:38412-46-3ChemIDplus