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(Q104921859)
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English
(1R,9R,16R,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Kopsininic acid
1 reference
based on heuristic
inferred from SMILES
mass
324.183778008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄N₂O₂
0 references
canonical SMILES
O=C(O)C1CC23CCCN4CCC5(C=6C=CC=CC6NC15CC2)C43
0 references
isomeric SMILES
O=C(O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43
0 references
found in taxon
Kopsia hainanensis
1 reference
stated in
Indole Alkaloids fromKopsia hainanensis
Identifiers
InChI
InChI=1S/C20H24N2O2/c23-16(24)14-12-18-6-3-10-22-11-9-19(17(18)22)13-4-1-2-5-15(13)21-20(14,19)8-7-18/h1-2,4-5,14,17,21H,3,6-12H2,(H,23,24)/t14-,17+,18-,19-,20-/m1/s1
0 references
InChIKey
AZPTZMIACWMVSO-PBOLBBRVSA-N
0 references
PubChem CID
162924422
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AZPTZMIACWMVSO-PBOLBBRVSA-N
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