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(Q105343741)
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English
1,3,5-Trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
group of stereoisomers with the chemical formula C₁₆H₁₈O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
338.100167536
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈O₈
0 references
canonical SMILES
O=C(OC1C(O)CC(O)(C(=O)O)CC1O)C=CC2=CC=C(O)C=C2
0 references
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/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)
0 references
InChIKey
XWRHBGVVCOSNKO-UHFFFAOYSA-N
0 references
PubChem CID
179719
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XWRHBGVVCOSNKO-UHFFFAOYSA-N
UniChem compound ID
63395777
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309014
1 reference
InChIKey
XWRHBGVVCOSNKO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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