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(Q105179773)
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English
1-[(1R,2R,7R,9R,10R)-10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl]ethanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(10-Hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone
1 reference
based on heuristic
inferred from SMILES
mass
237.136493468
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Angustimaline
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₉NO₃
0 references
canonical SMILES
O=C(C1=COCC2C1CC3N(C)C2CC3O)C
0 references
isomeric SMILES
CC(=O)C1=COC[C@@H]2[C@H]1C[C@@H]1[C@H](O)C[C@H]2N1C
0 references
found in taxon
Alstonia angustifolia
1 reference
stated in
Angustimaline, an unusual nitrogenous compound from Alstonia angustifolia
Identifiers
InChI
InChI=1S/C13H19NO3/c1-7(15)9-5-17-6-10-8(9)3-12-13(16)4-11(10)14(12)2/h5,8,10-13,16H,3-4,6H2,1-2H3/t8-,10+,11+,12+,13+/m0/s1
0 references
InChIKey
NIEQPQSSTARGLM-VECUTGAWSA-N
0 references
PubChem CID
102246929
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NIEQPQSSTARGLM-VECUTGAWSA-N
UniChem compound ID
97599416
1 reference
stated in
UniChem
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