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(Q105282074)
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English
6-[3-(4-Methoxyphenyl)prop-2-enoyloxy]-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
group of stereoisomers with the chemical formula C₂₆H₃₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
536.1893764639997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₂O₁₂
0 references
canonical SMILES
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CC(OC(=O)C=CC4=CC=C(OC)C=C4)C3C
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Identifiers
InChI
InChI=1S/C26H32O12/c1-12-17(36-19(28)8-5-13-3-6-14(34-2)7-4-13)9-15-16(24(32)33)11-35-25(20(12)15)38-26-23(31)22(30)21(29)18(10-27)37-26/h3-8,11-12,15,17-18,20-23,25-27,29-31H,9-10H2,1-2H3,(H,32,33)
0 references
InChIKey
UYZNVVOAAXRBNY-UHFFFAOYSA-N
0 references
PubChem CID
85253206
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UYZNVVOAAXRBNY-UHFFFAOYSA-N
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