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(Q104201173)
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English
3-hydroxy-3-[(2-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
group of stereoisomers with the chemical formula C₂₂H₂₂N₄O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chaetocin-like alkaloid
1 reference
inferred from
chaetocin-like alkaloid
biogenic 2,5-diketopiperazine
1 reference
inferred from
biogenic 2,5-diketopiperazine
biogenic cyclopeptide
1 reference
inferred from
biogenic cyclopeptide
mass
438.15393442399994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₂N₄O₆
0 references
canonical SMILES
O=C1N(C)C(O)(C(=O)N(C)C1CC2=CNC3=CC=CC(=C32)[N+](=O)[O-])CC=4C=CC=CC4O
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Identifiers
InChI
InChI=1S/C22H22N4O6/c1-24-17(10-14-12-23-15-7-5-8-16(19(14)15)26(31)32)20(28)25(2)22(30,21(24)29)11-13-6-3-4-9-18(13)27/h3-9,12,17,23,27,30H,10-11H2,1-2H3
0 references
InChIKey
XNRUYCJWMXPFHD-UHFFFAOYSA-N
0 references
PubChem CID
72792145
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNRUYCJWMXPFHD-UHFFFAOYSA-N
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