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(Q104946105)
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English
methyl 7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₁₇H₂₆O₁₁
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Statements
instance of
group of stereoisomers
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subclass of
iridoid
1 reference
inferred from
iridoid
mass
406.147511652
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₆O₁₁
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canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CCC3(O)CO
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Identifiers
InChI
InChI=1S/C17H26O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h5,7,9-13,15-16,18-22,24H,2-4,6H2,1H3
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InChIKey
BUIDBCJSSFEBDL-UHFFFAOYSA-N
0 references
PubChem CID
131860114
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BUIDBCJSSFEBDL-UHFFFAOYSA-N
UniChem compound ID
163944013
1 reference
stated in
UniChem
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