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(Q105346686)
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English
Cichoric acid;Dicaffeoyltartaric acid
group of stereoisomers with the chemical formula C₂₂H₁₈O₁₂
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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
474.079826016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₁₈O₁₂
0 references
canonical SMILES
O=C(OC(C(=O)O)C(OC(=O)C=CC1=CC=C(O)C(O)=C1)C(=O)O)C=CC2=CC=C(O)C(O)=C2
0 references
found in taxon
Echinacea angustifolia
1 reference
stated in
Comparison of chemical components and antioxidants capacity of different Echinacea species
Identifiers
InChI
InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)
0 references
InChIKey
YDDGKXBLOXEEMN-UHFFFAOYSA-N
0 references
PubChem CID
5134221
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YDDGKXBLOXEEMN-UHFFFAOYSA-N
UniChem compound ID
47355858
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0242519
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YDDGKXBLOXEEMN-UHFFFAOYSA-N
Probes And Drugs ID
PD086981
0 references
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