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(Q105209563)
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English
methyl 5-(1-hydroxyethyl)-4-(2-methoxy-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-carboxylate
group of stereoisomers with the chemical formula C₁₈H₂₈O₁₂
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Statements
instance of
group of stereoisomers
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subclass of
secoiridoid monoterpenoid
1 reference
inferred from
secoiridoid monoterpenoid
mass
436.15807633599974
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₈O₁₂
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C(O)C)C1CC(=O)OC
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Identifiers
InChI
InChI=1S/C18H28O12/c1-7(20)12-8(4-11(21)26-2)9(16(25)27-3)6-28-17(12)30-18-15(24)14(23)13(22)10(5-19)29-18/h6-8,10,12-15,17-20,22-24H,4-5H2,1-3H3
0 references
InChIKey
PIJWCPNNZULZBH-UHFFFAOYSA-N
0 references
PubChem CID
162956368
1 reference
matched by identifier from
InChIKey
InChIKey
PIJWCPNNZULZBH-UHFFFAOYSA-N
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