KEGG   COMPOUND: C10319
Entry
C10319                      Compound                               

Name
Heliosupine;
7-Angelyl-9-echimidinylheliotridine
Formula
C20H31NO7
Exact mass
397.2101
Mol weight
397.4626
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10319  Heliosupine
Other DBs
CAS: 32728-78-2
PubChem: 12505
ChEBI: 5641
KNApSAcK: C00002088
3DMET: B03737
NIKKAJI: J1.577F
KCF data

ATOM        28
            1   C1y C    25.6268  -19.3833
            2   N1y N    25.5978  -20.7849
            3   C2y C    26.8708  -18.9103
            4   C1y C    24.1961  -19.0096
            5   C1x C    24.2896  -21.2756
            6   C1x C    26.9467  -21.1704
            7   C2x C    27.7293  -20.0142
            8   C1b C    26.8651  -17.5087
            9   C1x C    23.4135  -20.1836
            10  O7a O    24.1845  -17.5964
            11  O7a O    28.0739  -16.8021
            12  C7a C    29.2886  -17.5030
            13  C1d C    30.5032  -16.7964
            14  O6a O    29.2827  -18.9046
            15  C1c C    31.7121  -17.4913
            16  C7a C    22.9686  -16.9078
            17  O6a O    21.7645  -17.6164
            18  C2c C    22.9571  -15.5106
            19  C1a C    24.1614  -14.8020
            20  C2b C    21.7415  -14.8220
            21  C1a C    20.5372  -15.5306
            22  O1a O    31.7895  -15.9233
            23  C1d C    30.5242  -15.5013
            24  C1a C    31.7341  -14.8027
            25  C1a C    29.3142  -14.8027
            26  O1a O    30.5224  -14.1588
            27  O1a O    31.7131  -18.8885
            28  C1a C    32.9211  -16.7910
BOND        29
            1    12  14 2
            2    13  15 1
            3     5   9 1
            4     6   7 1
            5    10  16 1
            6     1   2 1
            7    16  17 2
            8     1   3 1
            9    16  18 1
            10    1   4 1
            11   18  19 1
            12    2   5 1
            13   18  20 2
            14    2   6 1
            15   20  21 1
            16    3   7 2
            17   13  22 1 #Down
            18    3   8 1
            19   13  23 1
            20    4   9 1
            21   23  24 1
            22    4  10 1 #Down
            23   23  25 1
            24    8  11 1
            25   23  26 1
            26   11  12 1
            27   15  27 1 #Down
            28   12  13 1
            29   15  28 1

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