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(Q104967842)
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English
Methyl 1,3,4-trihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate
group of stereoisomers with the chemical formula C₁₈H₂₂O₉
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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
382.126382284
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₂O₉
0 references
canonical SMILES
O=C(OC1CC(O)(C(=O)OC)CC(O)C1O)C=CC2=CC=C(O)C(OC)=C2
0 references
found in taxon
Phellodendron amurense
1 reference
stated in
Constituents from the leaves of Phellodendron amurense and their antioxidant activity
Identifiers
InChI
InChI=1S/C18H22O9/c1-25-13-7-10(3-5-11(13)19)4-6-15(21)27-14-9-18(24,17(23)26-2)8-12(20)16(14)22/h3-7,12,14,16,19-20,22,24H,8-9H2,1-2H3
0 references
InChIKey
CPYDMLXRLHYXSV-UHFFFAOYSA-N
0 references
PubChem CID
74323583
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CPYDMLXRLHYXSV-UHFFFAOYSA-N
UniChem compound ID
77282909
1 reference
stated in
UniChem
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