KEGG   COMPOUND: C10396Help
Entry
C10396                      Compound                               

Name
Senkirkine
Formula
C19H27NO6
Exact mass
365.1838
Mol weight
365.4208
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10396  Senkirkine
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C10396  Senkirkine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Pyrrolizidine alkaloids
    C10396  Senkirkine
BRITE hierarchy
Other DBs
CAS: 2318-18-5
PubChem: 12582
ChEBI: 9111
ChEMBL: CHEMBL470059
KNApSAcK: C00002119
3DMET: B03809
NIKKAJI: J15.026F
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1y C    27.7328  -17.7818
            2   C5x C    28.9125  -18.4709
            3   O7x O    27.7328  -16.4271
            4   C1x C    26.6292  -18.9789
            5   C2y C    30.0919  -17.7994
            6   O5x O    28.8949  -17.0987
            7   C7x C    26.5533  -15.7497
            8   C1x C    27.6512  -20.1586
            9   C1x C    30.0919  -16.4330
            10  C2x C    31.1139  -18.9789
            11  C2y C    26.5533  -14.3833
            12  O6a O    25.3737  -16.4330
            13  N1y N    28.9299  -19.5220
            14  O7x O    31.2833  -15.7614
            15  C1x C    30.1680  -20.1586
            16  C1x C    27.7328  -13.7001
            17  C2b C    25.3737  -13.7001
            18  C1a C    28.9182  -20.9001
            19  C7x C    31.2890  -14.3892
            20  C1y C    28.9299  -14.3833
            21  C1a C    24.1825  -14.3833
            22  C1z C    30.1036  -13.7059
            23  O6a O    32.4687  -13.7001
            24  C1a C    28.9242  -15.4697
            25  C1a C    29.4146  -12.5088
            26  O1a O    30.4599  -12.3745
BOND        27
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    7  11 1
            11    7  12 2
            12    8  13 1
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 2
            17   13  18 1
            18   14  19 1
            19   16  20 1
            20   17  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1 #Down
            24   22  25 1 #Down
            25   22  26 1 #Up
            26   13  15 1
            27   20  22 1

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