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(Q115951655)
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English
KUCCBROXJIFMNG-NSHDSACASA-M
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
387.08284044
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₅N₂O₈
0 references
canonical SMILES
O=C([O-])[C]1[N+](=CC=C2C=C(NC(C(=O)O)C2)C(=O)O)C3=CC(O)=C(O)C=C3C1
0 references
isomeric SMILES
O=C([O-])[C]1Cc2cc(O)c(O)cc2/[N+]1=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1
0 references
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/C18H16N2O8/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/h1-3,6-7,11,19,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/q+1/p-1/t11-/m0/s1
0 references
InChIKey
KUCCBROXJIFMNG-NSHDSACASA-M
0 references
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