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CHEBI:228845 - 7-O-Ethylmorroniside

ChEBI IDCHEBI:228845
ChEBI Name7-O-Ethylmorroniside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O11
Net Charge0
Average Mass434.438
Monoisotopic Mass434.17881
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(=O)OC)[C@@]1([H])C[C@H](OCC)O[C@H]2C
InChIInChI=1S/C19H30O11/c1-4-26-12-5-9-10(17(24)25-3)7-27-18(13(9)8(2)28-12)30-19-16(23)15(22)14(21)11(6-20)29-19/h7-9,11-16,18-23H,4-6H2,1-3H3/t8-,9+,11+,12+,13+,14+,15-,16+,18-,19-/m0/s1
InChIKeyIRKFOLIBBQDADK-LEYKIWRXSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
7-O-Ethylmorroniside (CHEBI:228845) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl (1S,3R,4aS,8S,8aS)-3-ethoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
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30773372ChemSpider