KEGG   COMPOUND: C06176Help
Entry
C06176                      Compound                               

Name
Senecionine
Formula
C18H25NO5
Exact mass
335.1733
Mol weight
335.3948
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Tropane, piperidine and pyridine alkaloid biosynthesis
Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C06176  Senecionine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Pyrrolizidine alkaloids
    C06176  Senecionine
BRITE hierarchy
Other DBs
CAS: 
130-01-8
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1y C    27.0519  -22.8209
            2   C1y C    25.8762  -22.1293
            3   N1y N    27.0695  -23.8860
            4   C2y C    28.2523  -22.1481
            5   C1x C    24.7588  -23.3355
            6   O7x O    25.8762  -20.7647
            7   C1x C    25.7934  -24.5299
            8   C1x C    28.3292  -24.5299
            9   C2x C    29.2868  -23.3355
            10  C1x C    28.2523  -20.7704
            11  C7x C    24.6818  -20.0787
            12  O7x O    29.4526  -20.0904
            13  C2y C    24.6818  -18.7012
            14  O6a O    23.4873  -20.7704
            15  C7x C    29.4584  -18.7069
            16  C1x C    25.8762  -18.0095
            17  C2b C    23.4873  -18.0095
            18  C1z C    28.2639  -18.0152
            19  O6a O    30.6400  -18.0095
            20  C1y C    27.0695  -18.7012
            21  C1a C    22.2940  -18.7012
            22  C1a C    27.5663  -16.8148
            23  O1a O    28.6186  -16.6798
            24  C1a C    27.0636  -19.8687
BOND        26
            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 2
            17   15  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 1 #Down
            22   18  23 1 #Up
            23   20  24 1 #Down
            24    5   7 1
            25    8   9 1
            26   18  20 1

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