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(Q82826818)
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English
1-[(1R,6S)-3-Methoxy-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one
group of stereoisomers with the chemical formula C₁₂H₂₁NO₂
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
211.157228912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₁NO₂
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canonical SMILES
O=C(CC)C1C(OC)CCC2NC1CC2
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isomeric SMILES
CCC(=O)C1C(OC)CC[C@@H]2CC[C@H]1N2
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found in taxon
Raphidiopsis mediterranea
1 reference
stated in
Biosynthesis and transformation of homoanatoxin-a in the cyanobacterium Raphidiopsis mediterranea Skuja and structures of three new homologues
Identifiers
InChI
InChI=1S/C12H21NO2/c1-3-10(14)12-9-6-4-8(13-9)5-7-11(12)15-2/h8-9,11-13H,3-7H2,1-2H3/t8-,9+,11?,12?/m0/s1
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InChIKey
BLXMTYAPVHZNGV-CAQTZKSYSA-N
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CAS Registry Number
823234-72-6
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PubChem CID
71419095
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54391140
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20838362
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DSSTOX compound identifier
DTXCID80789104
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