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(Q105161820)
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English
[4-(3-Acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₃H₄₂O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
694.2472852640001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₃H₄₂O₁₆
0 references
canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(OC)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3OC(=O)C)CO)C=CC4=CC=C(O)C(OC)=C4
0 references
Identifiers
InChI
InChI=1S/C33H42O16/c1-16-26(39)27(40)31(46-17(2)35)33(45-16)49-30-28(41)32(44-12-11-19-6-9-22(42-3)21(37)13-19)47-24(15-34)29(30)48-25(38)10-7-18-5-8-20(36)23(14-18)43-4/h5-10,13-14,16,24,26-34,36-37,39-41H,11-12,15H2,1-4H3
0 references
InChIKey
MDKYHRJMEVATEZ-UHFFFAOYSA-N
0 references
PubChem CID
162976039
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDKYHRJMEVATEZ-UHFFFAOYSA-N
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