KEGG   COMPOUND: C10852
Entry
C10852                      Compound                               

Name
Cinnamoylcocaine
Formula
C19H23NO4
Exact mass
329.1627
Mol weight
329.3902
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10852  Cinnamoylcocaine
Other DBs
CAS: 521-67-5
PubChem: 13035
ChEBI: 3713
KNApSAcK: C00002284
3DMET: B05498
NIKKAJI: J10.204K
LinkDB
KCF data

ATOM        24
            1   C8y C    32.1314  -19.3547
            2   C8x C    32.8243  -20.4865
            3   C8x C    34.2133  -20.4891
            4   C8x C    34.9028  -19.2937
            5   C8x C    34.2168  -18.0920
            6   C8x C    32.8341  -18.0858
            7   O6a O    27.9350  -19.3097
            8   C7a C    28.7828  -18.1204
            9   O7a O    28.0051  -16.9311
            10  C1y C    26.6907  -17.2294
            11  C1y C    25.7221  -15.7475
            12  C1x C    25.7221  -16.7578
            13  C1y C    24.2984  -15.7475
            14  C1y C    24.2158  -16.7578
            15  N1y N    23.4777  -14.8394
            16  C1x C    23.2940  -16.3331
            17  C1x C    22.7642  -17.4121
            18  C1a C    23.4708  -13.4447
            19  C7a C    26.3558  -14.5494
            20  O7a O    27.7070  -14.5843
            21  O6a O    25.6662  -13.3672
            22  C1a C    28.4455  -13.1292
            23  C2b C    30.0377  -18.1216
            24  C2b C    30.7452  -19.3073
BOND        26
            1     7   8 2
            2     2   3 1
            3     8   9 1
            4     3   4 2
            5     4   5 1
            6     5   6 2
            7     6   1 1
            8    10  11 1
            9    10  12 1
            10   11  13 1
            11   12  14 1
            12   13  15 1
            13   13  16 1
            14   14  17 1
            15   14  15 1
            16   16  17 1
            17   15  18 1
            18   11  19 1 #Up
            19   19  20 1
            20   19  21 2
            21   20  22 1
            22   10   9 1 #Up
            23    8  23 1
            24    1   2 2
            25   23  24 2
            26   24   1 1

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