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(Q105349749)
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English
methyl (1S,3R,4S,5R)-1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexane-1-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 1-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4,5-trihydroxycyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
368.11073222
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,3R,4S,5R)-1-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₀O₉
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canonical SMILES
O=C(OC1(C(=O)OC)CC(O)C(O)C(O)C1)C=CC2=CC=C(O)C(O)=C2
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isomeric SMILES
COC(=O)[C@]1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](O)[C@@H](O)[C@H](O)C1
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found in taxon
Isertia haenkeana
1 reference
stated in
Quinic acid esters from Isertia haenkeana
Identifiers
InChI
InChI=1S/C17H20O9/c1-25-16(24)17(7-12(20)15(23)13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,23H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
0 references
InChIKey
YKLASSTYJKBGIY-AWOKGZDASA-N
0 references
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