C12452


Entry
C12452                      Compound                               
Name
Acetyltropine;
3-Acetyltropine
Formula
C10H17NO2
Exact mass
183.1259
Mol weight
183.2475
Structure
Reaction
R06735
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
Enzyme
2.3.1.185
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C12452  Acetyltropine
Other DBs
CAS: 3423-27-6
PubChem: 582842
KNApSAcK: C00025551
3DMET: B05643
NIKKAJI: J132.951K
KCF data

ATOM        13
            1   C1x C    26.0906  -18.0220
            2   C1y C    24.7027  -17.0404
            3   C1y C    24.6271  -18.0220
            4   N1y N    23.8964  -16.1610
            5   C1x C    23.7197  -17.6115
            6   C1x C    23.2110  -18.6620
            7   C1a C    23.8865  -14.7905
            8   C1x C    26.0906  -17.0404
            9   C1y C    27.0272  -18.4809
            10  O7a O    28.0114  -19.4599
            11  C7a C    29.4042  -19.4599
            12  O6a O    30.1006  -20.6659
            13  C1a C    30.1006  -18.2537
BOND        14
            1     8   2 1
            2     8   9 1
            3     1   3 1
            4     2   4 1
            5     2   5 1
            6     3   6 1
            7     3   4 1
            8     9  10 1 #Down
            9     5   6 1
            10   10  11 1
            11    4   7 1
            12   11  12 2
            13    9   1 1
            14   11  13 1