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(Q105348955)
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English
Dimethyl 5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate
group of stereoisomers with the chemical formula C₁₈H₂₆O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
434.14242627199974
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₆O₁₂
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C(=O)OC)CC(O)C13
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Identifiers
InChI
InChI=1S/C18H26O12/c1-26-15(24)6-3-8(20)10-7(16(25)27-2)5-28-17(11(6)10)30-18-14(23)13(22)12(21)9(4-19)29-18/h5-6,8-14,17-23H,3-4H2,1-2H3
0 references
InChIKey
YIPDLCVCRYRIMH-UHFFFAOYSA-N
0 references
PubChem CID
163048577
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YIPDLCVCRYRIMH-UHFFFAOYSA-N
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