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(Q105026511)
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English
methyl (1R,3R,4R,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
352.1158176
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₀O₈
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canonical SMILES
O=C(OC1C(O)CC(O)(C(=O)OC)CC1O)C=CC2=CC=C(O)C=C2
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isomeric SMILES
COC(=O)[C@]1(O)C[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)C1
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found in taxon
Haplopteris anguste-elongata
1 reference
stated in
Constituents of Vittaria anguste-elongata and their biological activities
Identifiers
InChI
InChI=1S/C17H20O8/c1-24-16(22)17(23)8-12(19)15(13(20)9-17)25-14(21)7-4-10-2-5-11(18)6-3-10/h2-7,12-13,15,18-20,23H,8-9H2,1H3/b7-4+/t12-,13-,15-,17-/m1/s1
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InChIKey
HDSDPFJFNJWIDZ-KVYQQKKYSA-N
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