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(Q104967599)
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English
4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₆H₄₈O₁₉
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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
784.2789793160002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₆H₄₈O₁₉
0 references
canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(O)C(OC)=C2)C(O)C1OC3OCC(O)(CO)C3O)COC4OC(C)C(O)C(O)C4O)C=CC5=CC=C(O)C(OC)=C5
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Identifiers
InChI
InChI=1S/C36H48O19/c1-17-26(41)27(42)28(43)33(52-17)50-14-24-30(54-25(40)9-6-18-4-7-20(38)22(12-18)47-2)31(55-35-32(45)36(46,15-37)16-51-35)29(44)34(53-24)49-11-10-19-5-8-21(39)23(13-19)48-3/h4-9,12-13,17,24,26-35,37-39,41-46H,10-11,14-16H2,1-3H3
0 references
InChIKey
CPJOAPUBOVBXHM-UHFFFAOYSA-N
0 references
PubChem CID
3083296
1 reference
based on heuristic
inferred from InChIKey
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