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(Q110077264)
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English
(2S)-2,6-dicarboxy-4-[2-(2-carboxy-5,6-dihydroxy-2,3-dihydro-1H-1λ⁵-indol-1-ylium-1-ylidene)ethyl]-1,2,3,4-tetrahydropyridin-4-yl
group of stereoisomers with the chemical formula C₁₈H₁₈N₂O₈⁺
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Statements
instance of
group of stereoisomers
0 references
subclass of
organic cation
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mass
390.10576695608995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₁₈N₂O₈⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)C1=C[C](CC=[N+]2C3=CC(O)=C(O)C=C3CC2C(=O)O)CC(N1)C(=O)O
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isomeric SMILES
O=C(O)C1=C[C](CC=[N+]2c3cc(O)c(O)cc3CC2C(=O)O)C[C@@H](C(=O)O)N1
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found in taxon
Spinacia oleracea
1 reference
stated in
Detection of betacyanin in red-tube spinach (Spinacia oleracea) and its biofortification by strategic hydroponics
Identifiers
InChI
InChI=1S/C18H17N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h2-3,6-7,11,13,19H,1,4-5H2,(H4-,21,22,23,24,25,26,27,28)/p+1/t11-,13?/m0/s1
0 references
InChIKey
ITGFXTTYFQBIRG-AMGKYWFPSA-O
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