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CHEBI:182014 - Methyl 4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

ChEBI IDCHEBI:182014
ChEBI NameMethyl 4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O11
Net Charge0
Average Mass404.368
Monoisotopic Mass404.13186
SMILESCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12O
InChIInChI=1S/C17H24O11/c1-25-14(23)8-6-26-15(10-7(4-18)2-3-17(8,10)24)28-16-13(22)12(21)11(20)9(5-19)27-16/h2,6,9-13,15-16,18-22,24H,3-5H2,1H3
InChIKeyLDBMLOLBWUOZGG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl 4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate (CHEBI:182014) is a glycoside (CHEBI:24400)
Methyl 4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate (CHEBI:182014) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
methyl 4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
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