KEGG   COMPOUND: C10142
Entry
C10142                      Compound                               
Name
Dioscorine
Formula
C13H19NO2
Exact mass
221.1416
Mol weight
221.30
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from lysine
   Piperidine alkaloids
    C10142  Dioscorine
Other DBs
CAS: 3329-91-7
PubChem: 12328
ChEBI: 4628
KNApSAcK: C00002036
NIKKAJI: J15.138F
LinkDB
KCF data

ATOM        16
            1   C1z C    26.7011  -18.4071
            2   C1y C    25.4854  -17.7004
            3   C1x C    26.6371  -19.8394
            4   C1x C    26.7011  -16.9925
            5   O7x O    27.9287  -19.1209
            6   C1x C    24.2464  -18.4071
            7   C1x C    24.7541  -18.9337
            8   C1y C    25.4854  -20.5533
            9   C2y C    27.9346  -16.2858
            10  C7x C    29.1561  -18.4130
            11  N1y N    24.2464  -19.8394
            12  C1x C    25.9815  -19.6475
            13  C2x C    29.1561  -16.9925
            14  C1a C    27.9229  -14.8593
            15  O6a O    30.3836  -19.1209
            16  C1a C    23.0119  -20.5473
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    9  13 2
            13    9  14 1
            14   10  15 2
            15   11  16 1
            16    8  11 1
            17    8  12 1 #Up
            18   13  10 1

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