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(Q105276969)
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English
[3-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(4-hydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₄H₂₄O₁₁
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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
488.1318615879997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₂₄O₁₁
0 references
canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1OC(=O)C=CC2=CC=C(O)C(O)=C2)C=CC3=CC=C(O)C=C3
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Identifiers
InChI
InChI=1S/C24H24O11/c25-12-18-21(31)22(32)23(34-19(29)10-5-14-3-8-16(27)17(28)11-14)24(33-18)35-20(30)9-4-13-1-6-15(26)7-2-13/h1-11,18,21-28,31-32H,12H2
0 references
InChIKey
UPSIQTAGSPSMDI-UHFFFAOYSA-N
0 references
PubChem CID
73113447
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UPSIQTAGSPSMDI-UHFFFAOYSA-N
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