KEGG   COMPOUND: C10286
Entry
C10286                      Compound                               

Name
Doronine;
4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-
Formula
C21H30ClNO8
Exact mass
459.166
Mol weight
459.9178
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10286  Doronine
Other DBs
CAS: 60367-00-2
PubChem: 12472
ChEBI: 4701
KNApSAcK: C00002084
NIKKAJI: J2.772.993B
KCF data

ATOM        31
            1   C1z C    28.2754  -15.7893
            2   C1y C    27.0997  -16.4737
            3   C7x C    29.4628  -16.4795
            4   O7a O    28.6380  -14.4616
            5   C1a C    27.5852  -14.6019
            6   C1x C    25.9123  -15.7835
            7   C1a C    27.0938  -17.8424
            8   O7x O    29.4568  -17.8542
            9   O6a O    30.6501  -15.7835
            10  C7a C    29.8312  -13.7714
            11  C1z C    24.7190  -16.4737
            12  C1x C    28.2637  -18.5267
            13  C1a C    29.8312  -12.3910
            14  O6a O    31.0245  -14.4616
            15  C7x C    24.7190  -17.8424
            16  C1c C    23.5433  -15.7835
            17  O1a O    23.4442  -17.3680
            18  C2y C    28.2637  -19.8954
            19  O7x O    25.9123  -18.5209
            20  O6a O    23.5433  -18.5267
            21  C1a C    22.3502  -16.4737
            22  X   Cl   23.5316  -14.3972
            23  C5x C    27.0821  -20.5622
            24  C2x C    29.2989  -21.0711
            25  C1y C    25.9123  -19.8779
            26  O5x O    27.0646  -19.1877
            27  C1x C    28.3454  -22.2644
            28  C1x C    24.7950  -21.0711
            29  N1y N    27.0997  -21.6268
            30  C1x C    25.8245  -22.2644
            31  C1a C    27.0880  -23.0072
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    6  11 1
            11    8  12 1
            12   10  13 1
            13   10  14 2
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   15  19 1
            19   15  20 2
            20   16  21 1
            21   16  22 1 #Up
            22   18  23 1
            23   18  24 2
            24   25  19 1 #Up
            25   23  26 2
            26   24  27 1
            27   25  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   23  25 1
            32   29  30 1

» Japanese version

DBGET integrated database retrieval system