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(Q115949417)
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English
Feruloyl quinic acid (isomer of 887, 888)
group of stereoisomers with the chemical formula C₁₇H₂₀O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
368.11073222
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₀O₉
0 references
canonical SMILES
O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C=CC2=CC=C(O)C(OC)=C2
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isomeric SMILES
COc1cc(/C=C/C(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O
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.
Humulus lupulus
1 reference
stated in
Comprehensive separation and structural analyses of polyphenols and related compounds from bracts of hops (Humulus lupulus L.).
Identifiers
InChI
InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+
0 references
InChIKey
RAGZUCNPTLULOL-HWKANZROSA-N
0 references
PubChem CID
5317346
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RAGZUCNPTLULOL-HWKANZROSA-N
UniChem compound ID
33786413
1 reference
stated in
UniChem
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