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(Q105219335)
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English
[2-[1,7-Bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₄H₃₈O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic alkylphenol
1 reference
inferred from
biogenic alkylphenol
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
654.2312412760001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₄H₃₈O₁₃
0 references
canonical SMILES
O=C(OC1C(OCC(O)C1O)OC(CC(=O)CCC2=CC=C(O)C(O)=C2)CCC3=CC=C(O)C(O)=C3)C=CC4=CC=C(O)C(OC)=C4
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Identifiers
InChI
InChI=1S/C34H38O13/c1-44-30-16-21(6-12-26(30)38)7-13-31(42)47-33-32(43)29(41)18-45-34(33)46-23(9-3-20-5-11-25(37)28(40)15-20)17-22(35)8-2-19-4-10-24(36)27(39)14-19/h4-7,10-16,23,29,32-34,36-41,43H,2-3,8-9,17-18H2,1H3
0 references
InChIKey
QEQBTRZSJZAYTN-UHFFFAOYSA-N
0 references
PubChem CID
75078749
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QEQBTRZSJZAYTN-UHFFFAOYSA-N
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