KEGG   COMPOUND: C10844
Entry
C10844                      Compound                               

Name
Apohyoscine
Formula
C17H19NO3
Exact mass
285.1365
Mol weight
285.3377
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10844  Apohyoscine
Other DBs
CAS: 535-26-2
PubChem: 13027
ChEBI: 2785
KNApSAcK: C00002276
3DMET: B05490
NIKKAJI: J431.618E
LinkDB
KCF data

ATOM        21
            1   C1y C    24.6355  -16.7599
            2   C1x C    23.6089  -15.1981
            3   C1x C    23.6089  -16.2666
            4   C1y C    22.1053  -15.1981
            5   C1y C    22.0295  -16.2666
            6   N1y N    21.2410  -14.2534
            7   C1y C    21.0498  -15.8198
            8   C1y C    20.4980  -16.9572
            9   O7a O    25.7430  -17.7252
            10  C7a C    27.0328  -17.7195
            11  C2c C    27.6689  -16.5943
            12  O6a O    27.6513  -18.8504
            13  C8y C    28.9704  -16.5884
            14  C2a C    27.0212  -15.4820
            15  C8x C    29.6180  -17.7135
            16  C8x C    29.6065  -15.4703
            17  C8x C    30.9206  -17.7078
            18  C8x C    30.9030  -15.4645
            19  C8x C    31.5569  -16.5826
            20  O2x O    19.7507  -15.6713
            21  C1a C    21.2310  -12.8518
BOND        24
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 1
            6     5   8 1
            7     5   6 1
            8     7   8 1
            9     1   9 1 #Down
            10    9  10 1
            11   10  11 1
            12   10  12 2
            13   11  13 1
            14   11  14 2
            15   13  15 2
            16   13  16 1
            17   15  17 1
            18   16  18 2
            19   17  19 2
            20   18  19 1
            21    1   2 1
            22    8  20 1 #Up
            23    7  20 1 #Up
            24    6  21 1

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