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(Q105287503)
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English
[6-[2-(3-Hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₇H₅₀O₂₁
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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
830.2844586200005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₇H₅₀O₂₁
0 references
canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(OC)C(O)=C2)C(OC3OC(CO)C(O)C(O)C3O)C1OC4OC(CO)C(O)C(O)C4O)CO)C=CC5=CC=C(O)C(OC)=C5
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Identifiers
InChI
InChI=1S/C37H50O21/c1-50-20-7-4-17(11-19(20)42)9-10-52-37-34(58-36-31(49)29(47)27(45)23(14-39)54-36)33(57-35-30(48)28(46)26(44)22(13-38)53-35)32(24(15-40)55-37)56-25(43)8-5-16-3-6-18(41)21(12-16)51-2/h3-8,11-12,22-24,26-42,44-49H,9-10,13-15H2,1-2H3
0 references
InChIKey
VJTWSKCJCLFTAS-UHFFFAOYSA-N
0 references
PubChem CID
75149055
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VJTWSKCJCLFTAS-UHFFFAOYSA-N
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