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CHEBI:193584 - Shanzhiside methyl ester

ChEBI IDCHEBI:193584
ChEBI NameShanzhiside methyl ester
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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(=O)OC)[C@@]1([H])[C@H](O)C[C@]2(C)O
InChIInChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1
InChIKeyKKSYAZCUYVRKML-IRDZEPHTSA-N
ChEBI Ontology
Outgoing Relation(s)
Shanzhiside methyl ester (CHEBI:193584) is a glycoside (CHEBI:24400)
Shanzhiside methyl ester (CHEBI:193584) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
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