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(Q104667394)
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English
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybutanedioic acid
group of stereoisomers with the chemical formula C₁₃H₁₂O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
296.053217344
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₂O₈
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canonical SMILES
O=C(O)CC(O)(C(=O)O)C(=O)C=CC1=CC=C(O)C(O)=C1
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isomeric SMILES
O=C(O)CC(O)(C(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1
1 reference
based on heuristic
inferred from InChI
found in taxon
Urtica dioica
2 references
stated in
Caffeic Acid Esters from Urtica dioica and U. urens
stated in
Evidence for antirheumatic effectiveness of Herba Urticae dioicae in acute arthritis: A pilot study
Marrubium velutinum
1 reference
stated in
Identification of tyrosinase inhibitors from Marrubium velutinum and Marrubium cylleneum
Isodon rubescens
1 reference
stated in
One single HPLC-PDA/(-)ESI-MS/MS analysis to simultaneously determine 30 components of the aqueous extract of Rabdosia rubescens
Chelidonium majus
1 reference
stated in
Reduction of ACh-induced contraction of rat isolated ileum by coptisine, (+)-caffeoylmalic acid, Chelidonium majus, and Corydalis lutea extracts
Pseudofumaria lutea
1 reference
stated in
Reduction of ACh-induced contraction of rat isolated ileum by coptisine, (+)-caffeoylmalic acid, Chelidonium majus, and Corydalis lutea extracts
Identifiers
InChI
InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-10(16)13(21,12(19)20)6-11(17)18/h1-5,14-15,21H,6H2,(H,17,18)(H,19,20)/b4-2+
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InChIKey
NHYPUVOSYZUDMG-DUXPYHPUSA-N
0 references
PubChem CID
14707056
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NHYPUVOSYZUDMG-DUXPYHPUSA-N
UniChem compound ID
79100434
1 reference
stated in
UniChem
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