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CHEBI:228846 - 8-O-Acetylharpagide

ChEBI IDCHEBI:228846
ChEBI Name8-O-Acetylharpagide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O11
Net Charge0
Average Mass406.384
Monoisotopic Mass406.14751
SMILES[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]1(O)[C@H](O)C[C@]2(C)OC(C)=O
InChIInChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3/t8-,9-,10-,11+,12-,13-,14+,15+,16+,17-/m1/s1
InChIKeyCAFTUQNGDROXEZ-XBDCZORHSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
8-O-Acetylharpagide (CHEBI:228846) is a glycoside (CHEBI:24400)
8-O-Acetylharpagide (CHEBI:228846) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
Manual XrefsDatabases
8154242ChemSpider