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(Q105031731)
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English
ethyl (1R,3S,4R,5S)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Ethyl 4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxycyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
382.126382284
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
ethyl (1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
ethyl (1R,3R,4R,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from InChIKey
ethyl (1R,3S,4R,5S)-4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₂O₉
0 references
canonical SMILES
O=C(OC1C(O)CC(O)(C(=O)OCC)CC1O)C=CC2=CC=C(O)C(O)=C2
0 references
isomeric SMILES
CCOC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1
0 references
found in taxon
Lonicera bournei
1 reference
stated in
Studies on the hepatocyte protective activity and the structure-activity relationships of quinic acid and caffeic acid derivatives from the flower buds of Lonicera bournei
Identifiers
InChI
InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(14(22)9-18)27-15(23)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-22,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m0/s1
0 references
InChIKey
HPJJCRNQEWRFQW-NBJMIBJLSA-N
0 references
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