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(Q105249446)
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English
[3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₉H₂₄O₁₁
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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
548.1318615879998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₂₄O₁₁
0 references
canonical SMILES
O=C1OC=2C=3OC(COC(=O)C=CC4=CC=C(O)C(O)=C4)C(OC3C(OC)=CC2C=C1)C5=CC=C(O)C(OC)=C5
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Identifiers
InChI
InChI=1S/C29H24O11/c1-35-21-12-16(5-8-19(21)31)26-23(14-37-24(33)9-4-15-3-7-18(30)20(32)11-15)38-29-27-17(6-10-25(34)39-27)13-22(36-2)28(29)40-26/h3-13,23,26,30-32H,14H2,1-2H3
0 references
InChIKey
SBHOYULRLAYYGT-UHFFFAOYSA-N
0 references
PubChem CID
75051697
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SBHOYULRLAYYGT-UHFFFAOYSA-N
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