KEGG   COMPOUND: C10821Help
Entry
C10821                      Compound                               

Name
Solanocapsine
Formula
C27H46N2O2
Exact mass
430.3559
Mol weight
430.6663
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10821  Solanocapsine
BRITE hierarchy
Other DBs
CAS: 639-86-1
PubChem: 13004
ChEBI: 9189
ChEMBL: CHEMBL2002365
LipidBank: SST0118
KNApSAcK: C00002263
3DMET: B04155
NIKKAJI: J7.051C
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1x C    26.1039  -17.0476
            2   C1y C    26.0805  -19.7947
            3   C1x C    24.9017  -17.7177
            4   C1y C    24.8900  -19.0941
            5   C1x C    26.0805  -21.1711
            6   C1z C    23.7079  -19.7830
            7   C1x C    24.8854  -21.8530
            8   C1y C    23.7020  -21.1596
            9   C1x C    22.5114  -19.0882
            10  C1a C    23.6962  -18.4066
            11  C1x C    22.5114  -21.8471
            12  C1x C    21.3219  -19.7830
            13  C1y C    21.3219  -21.1596
            14  N1a N    20.1197  -21.8471
            15  C1a C    27.2821  -16.3674
            16  C1z C    27.2885  -17.7377
            17  C1y C    27.2770  -19.1233
            18  C1x C    29.6764  -19.1435
            19  C1y C    28.4905  -17.0551
            20  C1y C    29.6808  -17.7579
            21  O2x O    30.8792  -17.0812
            22  C1y C    28.5057  -15.6756
            23  C1y C    29.7110  -14.9991
            24  C1z C    30.8880  -15.6997
            25  C1x C    32.0884  -15.0276
            26  C1y C    32.0348  -13.6549
            27  C1x C    30.9209  -12.9541
            28  N1x N    29.6576  -13.6262
            29  C1a C    27.3299  -14.9772
            30  C1a C    33.2964  -12.9836
            31  O1a O    32.1671  -16.4288
BOND        36
            1     8  11 1
            2     9  12 1
            3    11  13 1
            4    13  14 1 #Up
            5     3   4 1
            6     7   8 1
            7    16  17 1
            8    18  20 1
            9    19  16 1
            10   17  18 1
            11   12  13 1
            12   19  20 1
            13   20  21 1
            14   21  24 1
            15   23  22 1
            16   22  19 1
            17   16  15 1 #Up
            18   16   1 1
            19   17   2 1
            20    1   3 1
            21    2   4 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  23 1
            28    2   5 1
            29    4   6 1
            30    5   7 1
            31   22  29 1 #Down
            32    6   8 1
            33    6   9 1
            34   26  30 1 #Down
            35    6  10 1 #Up
            36   24  31 1 #Up

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