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(Q105185750)
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English
9-O-Feruloyl-5,5/'-dimethoxylariciresil
group of stereoisomers with the chemical formula C₃₂H₃₆O₁₁
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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
596.225761972
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₃₆O₁₁
0 references
canonical SMILES
O=C(OCC1C(OCC1CC2=CC(OC)=C(O)C(OC)=C2)C3=CC(OC)=C(O)C(OC)=C3)C=CC4=CC=C(O)C(OC)=C4
0 references
Identifiers
InChI
InChI=1S/C32H36O11/c1-37-24-11-18(6-8-23(24)33)7-9-29(34)42-17-22-21(10-19-12-25(38-2)30(35)26(13-19)39-3)16-43-32(22)20-14-27(40-4)31(36)28(15-20)41-5/h6-9,11-15,21-22,32-33,35-36H,10,16-17H2,1-5H3
0 references
InChIKey
NTYDMYPTASSNQW-UHFFFAOYSA-N
0 references
PubChem CID
74318722
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NTYDMYPTASSNQW-UHFFFAOYSA-N
UniChem compound ID
77278156
1 reference
stated in
UniChem
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