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(Q105033558)
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English
Methyl 7-acetyloxy-4a,5-dihydroxy-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 C₁₉H₂₈O₁₃
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Statements
instance of
group of stereoisomers
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subclass of
iridoid
1 reference
inferred from
iridoid
mass
464.1529909559997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₈O₁₃
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canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1(O)C(O)CC3(OC(=O)C)C
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Identifiers
InChI
InChI=1S/C19H28O13/c1-7(21)32-18(2)4-10(22)19(27)8(15(26)28-3)6-29-17(14(18)19)31-16-13(25)12(24)11(23)9(5-20)30-16/h6,9-14,16-17,20,22-25,27H,4-5H2,1-3H3
0 references
InChIKey
HTOSOQRDFDYOGW-UHFFFAOYSA-N
0 references
PubChem CID
124222270
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
150736252
1 reference
stated in
UniChem
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