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(Q105132497)
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English
5-(2-hydroxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
group of stereoisomers with the chemical formula C₂₄H₃₀O₁₃
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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
526.1686410199997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₀O₁₃
0 references
canonical SMILES
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCO)C1CC(=O)OCCC3=CC=C(O)C=C3
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Identifiers
InChI
InChI=1S/C24H30O13/c25-7-5-14-15(9-18(28)34-8-6-12-1-3-13(27)4-2-12)16(22(32)33)11-35-23(14)37-24-21(31)20(30)19(29)17(10-26)36-24/h1-5,11,15,17,19-21,23-27,29-31H,6-10H2,(H,32,33)
0 references
InChIKey
JORLYMGTWNNOMY-UHFFFAOYSA-N
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PubChem CID
75111140
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JORLYMGTWNNOMY-UHFFFAOYSA-N
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