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(Q104969901)
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English
4-[2-[2-Carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
group of stereoisomers with the chemical formula C₂₄H₂₆N₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
indole alkaloid
1 reference
inferred from
indole alkaloid
mass
550.1434888919998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₂₆N₂O₁₃
0 references
canonical SMILES
O=C(O)C1=NC(C(=O)O)CC(C=CN2C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)O)=C1
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Identifiers
InChI
InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)
0 references
InChIKey
CTMLKIKAUFEMLE-UHFFFAOYSA-N
0 references
PubChem CID
73265364
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
70448028
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0260204
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CTMLKIKAUFEMLE-UHFFFAOYSA-N
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