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(Q115949415)
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English
Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester
group of stereoisomers with the chemical formula C₁₆H₁₈O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
354.095082156
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈O₉
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canonical SMILES
O=C(O)C1(O)CC(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C1
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isomeric SMILES
O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)CC(O)(C(=O)O)CC1O
1 reference
based on heuristic
inferred from InChI
found in taxon
Foeniculum vulgare
1 reference
stated in
Separation and characterization of phenolic compounds in fennel (Foeniculum vulgare) using liquid chromatography-negative electrospray ionization tandem mass spectrometry.
Identifiers
InChI
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+
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InChIKey
GYFFKZTYYAFCTR-DUXPYHPUSA-N
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PubChem CID
5315599
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
61695366
1 reference
stated in
UniChem
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