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(Q105350737)
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English
Methyl 6-chloro-4a,5,7-trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₁₇H₂₅ClO₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
456.10345391999977
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₅ClO₁₂
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1(O)C(O)C(Cl)C3(O)C
0 references
Identifiers
InChI
InChI=1S/C17H25ClO12/c1-16(25)10-15(30-14-9(22)8(21)7(20)6(3-19)29-14)28-4-5(13(24)27-2)17(10,26)12(23)11(16)18/h4,6-12,14-15,19-23,25-26H,3H2,1-2H3
0 references
InChIKey
YMUFZYYUSKBPQJ-UHFFFAOYSA-N
0 references
PubChem CID
74943452
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YMUFZYYUSKBPQJ-UHFFFAOYSA-N
KNApSAcK ID
C00058659
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YMUFZYYUSKBPQJ-UHFFFAOYSA-N
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