KEGG   COMPOUND: C15612
Entry
C15612                      Compound                               

Name
Senecionine N-oxide
Formula
C18H25NO6
Exact mass
351.1682
Mol weight
351.3942
Structure
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C15612  Senecionine N-oxide
Other DBs
PubChem: 17396603
ChEBI: 52070
ChEMBL: CHEMBL471683
NIKKAJI: J371.923E
KCF data

ATOM        25
            1   C1y C    26.2819  -19.1109
            2   C1y C    25.1062  -18.4193
            3   N2y N    26.2995  -20.1760 #+
            4   C2y C    27.4823  -18.4381
            5   C1x C    23.9888  -19.6255
            6   O7x O    25.1062  -17.0547
            7   C1x C    25.0234  -20.8199
            8   C1x C    27.5592  -20.8199
            9   C2x C    28.5168  -19.6255
            10  C1x C    27.4823  -17.0604
            11  C7x C    23.9118  -16.3687
            12  O7x O    28.6826  -16.3804
            13  C2y C    23.9118  -14.9912
            14  O6a O    22.7173  -17.0604
            15  C7x C    28.6884  -14.9969
            16  C1x C    25.1062  -14.2995
            17  C2b C    22.7173  -14.2995
            18  C1z C    27.4939  -14.3052
            19  O6a O    29.8700  -14.2995
            20  C1y C    26.2995  -14.9912
            21  C1a C    21.5240  -14.9912
            22  C1a C    26.7963  -13.1048
            23  O1a O    27.8486  -12.9698
            24  C1a C    26.2936  -16.2987
            25  O3a O    26.2995  -21.5760 #-
BOND        27
            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
            27    3  25 1

» Japanese version

DBGET integrated database retrieval system