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CHEBI:182720 - Daphylloside

ChEBI IDCHEBI:182720
ChEBI NameDaphylloside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O12
Net Charge0
Average Mass446.405
Monoisotopic Mass446.14243
SMILES[H][C@@]12C(COC(C)=O)=C[C@H](O)[C@]1([H])C(C(=O)OC)=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1
InChIKeyYSOBQIMODQOGKQ-HOZAMIDDSA-N
ChEBI Ontology
Outgoing Relation(s)
Daphylloside (CHEBI:182720) is a glycoside (CHEBI:24400)
Daphylloside (CHEBI:182720) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
methyl (1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
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