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(Q105210330)
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English
Melonine N-oxide
group of stereoisomers with the chemical formula C₁₉H₂₆N₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
298.20451345199996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₆N₂O
0 references
canonical SMILES
[O-][N+]12CCCC3(CC)CCC4(NC=5C=CC=CC5C4C31)CC2
0 references
isomeric SMILES
CC[C@]12CCC[N+]3([O-])CC[C@]4(CC1)Nc1ccccc1[C@@H]4[C@@H]23
0 references
Identifiers
InChI
InChI=1S/C19H26N2O/c1-2-18-8-5-12-21(22)13-11-19(10-9-18)16(17(18)21)14-6-3-4-7-15(14)20-19/h3-4,6-7,16-17,20H,2,5,8-13H2,1H3/t16-,17+,18+,19+,21?/m1/s1
0 references
InChIKey
PKCZRELGBLCVTO-HXSWZLAGSA-N
0 references
PubChem CID
163184432
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PKCZRELGBLCVTO-HXSWZLAGSA-N
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