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(Q105141613)
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English
[2-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₄H₂₄O₁₂
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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
504.4411
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₄O₁₂
0 references
canonical SMILES
O=C(OC1OC(CO)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O)C=CC3=CC=C(O)C(O)=C3
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Identifiers
InChI
InChI=1S/C24H24O12/c25-11-18-21(32)23(35-19(30)7-3-12-1-5-14(26)16(28)9-12)22(33)24(34-18)36-20(31)8-4-13-2-6-15(27)17(29)10-13/h1-10,18,21-29,32-33H,11H2
0 references
InChIKey
KIODQZXMNGIVNL-UHFFFAOYSA-N
0 references
PubChem CID
73090517
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KIODQZXMNGIVNL-UHFFFAOYSA-N
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