KEGG   COMPOUND: C10359
Entry
C10359                      Compound                               

Name
Petasitenine
Formula
C19H27NO7
Exact mass
381.1788
Mol weight
381.4202
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10359  Petasitenine
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C10359  Petasitenine
Other DBs
CAS: 60102-37-6
PubChem: 12545
ChEBI: 8031
KNApSAcK: C00002105
NIKKAJI: J161.396K
KCF data

ATOM        27
            1   C1z C    26.5008  -14.4006
            2   C1y C    25.3255  -13.7106
            3   O2x O    26.4891  -13.0149
            4   C7x C    26.5008  -15.7688
            5   C1x C    27.6877  -13.7106
            6   C1a C    24.1269  -14.4006
            7   O7x O    27.6877  -16.4470
            8   O6a O    25.3255  -16.4530
            9   C1y C    28.8806  -14.4006
            10  C1y C    27.6877  -17.8035
            11  C1z C    30.0616  -13.7165
            12  C1a C    28.8747  -15.4888
            13  C5x C    28.8630  -18.4877
            14  C1x C    26.5767  -18.9964
            15  C7x C    31.2428  -14.4065
            16  C1a C    29.3659  -12.5237
            17  O1a O    30.4124  -12.3892
            18  C2y C    30.0499  -17.8212
            19  O5x O    28.8455  -17.1195
            20  C1x C    27.6000  -20.1834
            21  O7x O    31.2368  -15.7805
            22  O6a O    32.4297  -13.7106
            23  C1x C    30.0499  -16.4530
            24  C2x C    31.0732  -18.9964
            25  N1y N    28.8806  -19.5460
            26  C1x C    30.1259  -20.1834
            27  C1a C    28.8689  -20.9259
BOND        29
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9    10   7 1 #Up
            10    9  11 1
            11    9  12 1 #Down
            12   10  13 1
            13   10  14 1
            14   11  15 1
            15   11  16 1 #Down
            16   11  17 1 #Up
            17   13  18 1
            18   13  19 2
            19   14  20 1
            20   15  21 1
            21   15  22 2
            22   18  23 1
            23   18  24 2
            24   20  25 1
            25   24  26 1
            26   25  27 1
            27    2   3 1 #Up
            28   21  23 1
            29   25  26 1

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