KEGG   COMPOUND: C10357
Entry
C10357                      Compound                               
Name
Parsonsine
Formula
C22H33NO8
Exact mass
439.2206
Mol weight
439.4993
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10357  Parsonsine
Other DBs
CAS: 72213-98-0
PubChem: 12543
ChEBI: 7937
KNApSAcK: C00002104
3DMET: B03771
NIKKAJI: J405.563B
LinkDB
KCF data

ATOM        31
            1   C1y C    28.2639  -27.1814
            2   C1y C    26.9029  -26.7237
            3   N1y N    28.2757  -28.6246
            4   C2y C    29.6250  -26.7237
            5   C1x C    26.0641  -27.9089
            6   O7x O    26.9204  -25.2864
            7   C1x C    26.9029  -29.0586
            8   C1x C    29.6485  -29.0469
            9   C2x C    30.4815  -27.8794
            10  C1x C    29.6917  -25.7722
            11  C7x C    25.5476  -24.8347
            12  O7x O    31.1487  -24.9901
            13  C1z C    25.5594  -23.4268
            14  O6a O    24.2747  -25.4859
            15  C7x C    31.4849  -23.4131
            16  C1x C    26.8852  -22.9691
            17  C1c C    24.1281  -23.4268
            18  O1a O    24.9024  -22.1536
            19  O6a O    32.8573  -23.4013
            20  C7x C    26.8912  -21.5671
            21  C1a C    23.1131  -24.4416
            22  C1a C    23.1131  -22.4118
            23  C1z C    30.4405  -21.7606
            24  O7x O    28.2171  -21.1036
            25  O6a O    25.8762  -20.5463
            26  C1y C    29.0969  -22.2064
            27  C1c C    30.8687  -20.3937
            28  C1a C    28.6583  -23.5404
            29  C1a C    29.9066  -19.3436
            30  C1a C    32.2592  -20.0829
            31  O1a O    31.8373  -21.7606
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    6  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   13  17 1 #Up
            17   13  18 1 #Down
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   17  22 1
            22   20  24 1
            23   20  25 2
            24   23  26 1
            25   23  27 1 #Up
            26   26  28 1 #Up
            27   27  29 1
            28   27  30 1
            29    5   7 1
            30    8   9 1
            31   24  26 1
            32   23  31 1 #Down
            33   15  23 1

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