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English
Methyl 5-O-feruloylquinate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 1,3,4-trihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
382.126382284
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Methyl 3-O-feruloylquinate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1R,3S,4S,5S)-1,3,4-trihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from InChI
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
isomeric SMILES
COC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)C1
0 references
found in taxon
Phellodendron amurense
1 reference
stated in
Phenolic constituents of phellodendron amurense bark
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/b6-4+/t12-,14-,16+,18-/m1/s1
0 references
InChIKey
CPYDMLXRLHYXSV-JZAYIOOCSA-N
0 references
PubChem CID
102004731
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
110855792
1 reference
stated in
UniChem
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