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(Q105207716)
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English
[7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-methoxybenzoate
group of stereoisomers with the chemical formula C₂₃H₃₀O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
498.1737264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀O₁₂
0 references
canonical SMILES
O=C(OC1CC(O)(CO)C2C(OC=CC12)OC3OC(CO)C(O)C(O)C3O)C4=CC=C(OC)C=C4
0 references
Identifiers
InChI
InChI=1S/C23H30O12/c1-31-12-4-2-11(3-5-12)20(29)33-14-8-23(30,10-25)16-13(14)6-7-32-21(16)35-22-19(28)18(27)17(26)15(9-24)34-22/h2-7,13-19,21-22,24-28,30H,8-10H2,1H3
0 references
InChIKey
PFFMJVKPHGWQMP-UHFFFAOYSA-N
0 references
PubChem CID
73804532
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PFFMJVKPHGWQMP-UHFFFAOYSA-N
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