KEGG   COMPOUND: C10849
Entry
C10849                      Compound                               

Name
Brugine
Formula
C12H19NO2S2
Exact mass
273.0857
Mol weight
273.4148
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10849  Brugine
Other DBs
CAS: 14912-30-2
PubChem: 13032
ChEBI: 3194
KNApSAcK: C00002281
3DMET: B05495
NIKKAJI: J533.480B
KCF data

ATOM        17
            1   C1y C    29.2207  -18.5580
            2   C1x C    30.5201  -18.5574
            3   C1x C    30.9231  -17.3216
            4   S3x S    29.8727  -16.5615
            5   S3x S    28.8163  -17.3230
            6   O7a O    27.2194  -19.6529
            7   C7a C    28.5417  -19.6830
            8   O6a O    29.1736  -20.8383
            9   C1y C    26.5122  -18.4300
            10  C1x C    25.5195  -16.9154
            11  C1x C    25.5195  -17.9499
            12  C1y C    24.0633  -16.9154
            13  C1y C    23.9803  -17.9499
            14  N1y N    23.2191  -15.9906
            15  C1x C    23.0346  -17.5168
            16  C1x C    22.4962  -18.6133
            17  C1a C    23.2119  -14.5562
BOND        19
            1     3   4 1
            2     4   5 1
            3     5   1 1
            4     1   2 1
            5     2   3 1
            6     6   7 1
            7     1   7 1 #Up
            8     9  10 1
            9     9  11 1
            10   10  12 1
            11   11  13 1
            12   12  14 1
            13   12  15 1
            14   13  16 1
            15   13  14 1
            16   15  16 1
            17    9   6 1 #Down
            18    7   8 2
            19   14  17 1

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