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(Q110185385)
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English
(S,E)-4-(2-((3,4-Dihydroxyphenethyl)imino)ethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
346.116486296
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S,4E)-4-[(2Z)-2-{[2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2S,4E)-4-[(2E)-2-{[2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R,4E)-4-[(2Z)-2-{[2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₈N₂O₆
0 references
canonical SMILES
O=C(O)C1=CC(=CC=NCCC2=CC=C(O)C(O)=C2)CC(N1)C(=O)O
0 references
isomeric SMILES
O=C(O)C1=C/C(=C/C=NCCc2ccc(O)c(O)c2)C[C@@H](C(=O)O)N1
0 references
found in taxon
Portulaca grandiflora
1 reference
stated in
Two betalains from Portulaca grandiflora
Celosia argentea
1 reference
stated in
Chemical stability and colorant properties of betaxanthin pigments from Celosia argentea
Identifiers
InChI
InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6?/t13-/m0/s1
0 references
InChIKey
PDKFHZWVCCZUIF-DJDUWTSMSA-N
0 references
CAS Registry Number
5375-64-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
135926601
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PDKFHZWVCCZUIF-DJDUWTSMSA-N
UniChem compound ID
168284005
1 reference
stated in
UniChem
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