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CHEBI:228877 - Harpagide

ChEBI IDCHEBI:228877
ChEBI NameHarpagide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O10
Net Charge0
Average Mass364.347
Monoisotopic Mass364.13695
SMILESC[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12
InChIInChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11?,12+,13+,14+,15-/m1/s1
InChIKeyXUWSHXDEJOOIND-ZATIHQEFSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Harpagide (CHEBI:228877) is a glycoside (CHEBI:24400)
Harpagide (CHEBI:228877) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1S,4aS,5R,7S)-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-4a,5,7-triol
Manual XrefsDatabases
8219858ChemSpider