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(Q105289729)
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English
butyl (1S,3R,4R,5R)-3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Butyl 3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
410.157682412
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
butyl (1R,3S,4S,5S)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,3R,4S,5R)-Butyl 3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
butyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Butyl chlorogenate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₉
0 references
canonical SMILES
O=C(OC1CC(O)(C(=O)OCCCC)CC(O)C1O)C=CC2=CC=C(O)C(O)=C2
0 references
isomeric SMILES
CCCCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1
0 references
found in taxon
Isertia haenkeana
1 reference
stated in
Quinic acid esters from Isertia haenkeana
Identifiers
InChI
InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5-/t15-,16-,18-,20+/m1/s1
0 references
InChIKey
VNLREARKISTOAD-IOIKXYTDSA-N
0 references
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