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(Q104994518)
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English
methyl 5,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₂₃H₃₆O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
568.2003350719997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₆O₁₆
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C4C1C(O)CC4(O)C
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Identifiers
InChI
InChI=1S/C23H36O16/c1-23(33)3-8(25)11-7(19(32)34-2)5-35-20(12(11)23)39-22-18(31)16(29)14(27)10(38-22)6-36-21-17(30)15(28)13(26)9(4-24)37-21/h5,8-18,20-22,24-31,33H,3-4,6H2,1-2H3
0 references
InChIKey
FFKQCCZXUVIIPM-UHFFFAOYSA-N
0 references
PubChem CID
162916689
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FFKQCCZXUVIIPM-UHFFFAOYSA-N
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