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(Q105175178)
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English
[4-[5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₄H₄₄O₁₉
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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
756.7031
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₄H₄₄O₁₉
0 references
canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3OC(C)C(OC4OCC(O)(CO)C4O)C(O)C3O)CO)C=CC5=CC=C(O)C(O)=C5
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Identifiers
InChI
InChI=1S/C34H44O19/c1-15-27(52-33-30(45)34(46,13-36)14-48-33)24(42)25(43)32(49-15)53-29-26(44)31(47-9-8-17-3-6-19(38)21(40)11-17)50-22(12-35)28(29)51-23(41)7-4-16-2-5-18(37)20(39)10-16/h2-7,10-11,15,22,24-33,35-40,42-46H,8-9,12-14H2,1H3
0 references
InChIKey
MYTQIOQLRFFFEC-UHFFFAOYSA-N
0 references
PubChem CID
75084967
1 reference
based on heuristic
inferred from InChIKey
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