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(Q105292849)
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English
1,3,5-Trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
group of stereoisomers with the chemical formula C₁₇H₂₀O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
368.11073222
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₀O₉
0 references
canonical SMILES
O=C(OC1C(O)CC(O)(C(=O)O)CC1O)C=CC2=CC=C(O)C(OC)=C2
0 references
found in taxon
Chara tomentosa
1 reference
stated in
Liquid chromatography coupled with ultraviolet absorbance detection, electrospray ionization, collision-induced dissociation and tandem mass spectrometry on a triple quadrupole for the on-line characterization of polyphenols and methylxanthines in g
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.
Artemisia annua
1 reference
stated in
Phytochemical analysis of a herbal tea from Artemisia annua L.
Phellodendron amurense
1 reference
stated in
Rapid identification and comparative analysis of the chemical constituents and metabolites of Phellodendri amurensis cortex and Zhibai dihuang pill by ultra-performance liquid chromatography with quadrupole TOF-MS.
Ruta graveolen
1 reference
stated in
Influence of harvest season on chemical composition and bioactivity of wild rue plant hydroalcoholic extracts
Identifiers
InChI
InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)
0 references
InChIKey
VTMFDSJJVNQXLT-UHFFFAOYSA-N
0 references
PubChem CID
4635494
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VTMFDSJJVNQXLT-UHFFFAOYSA-N
UniChem compound ID
62501092
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309020
1 reference
InChIKey
VTMFDSJJVNQXLT-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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