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(Q105145725)
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English
Lagumicine
group of stereoisomers with the chemical formula C₂₀H₂₂N₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
akuammicine alkaloid
1 reference
inferred from
akuammicine alkaloid
strychnidine alkaloid
1 reference
inferred from
strychnidine alkaloid
mass
354.157957184
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₂N₂O₄
0 references
canonical SMILES
O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5CC(O)(C(=O)C)C1CC54
0 references
isomeric SMILES
COC(=O)C1=C2Nc3ccccc3C23CCN2C[C@@](O)(C(C)=O)[C@@H]1C[C@H]23
0 references
Identifiers
InChI
InChI=1S/C20H22N2O4/c1-11(23)20(25)10-22-8-7-19-12-5-3-4-6-14(12)21-17(19)16(18(24)26-2)13(20)9-15(19)22/h3-6,13,15,21,25H,7-10H2,1-2H3/t13-,15+,19?,20-/m1/s1
0 references
InChIKey
KTEDEOXQNICGRJ-LSTICJSWSA-N
0 references
PubChem CID
101288221
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KTEDEOXQNICGRJ-LSTICJSWSA-N
UniChem compound ID
96707106
1 reference
stated in
UniChem
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