KEGG   COMPOUND: C10822
Entry
C10822                      Compound                               

Name
Solasodine
Formula
C27H43NO2
Exact mass
413.3294
Mol weight
413.6358
Structure
Reaction
Pathway
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0115 Solanidines and alkaloid derivatives
    C10822  Solasodine
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10822  Solasodine
Other DBs
CAS: 126-17-0
PubChem: 13005
ChEBI: 9190
ChEMBL: CHEMBL518252
LipidBank: SST0119
KNApSAcK: C00002264
3DMET: B04156
NIKKAJI: J59.535G
KCF data

ATOM        30
            1   C1y C    27.7443  -19.9261
            2   C1y C    28.8979  -20.5961
            3   C1y C    27.7501  -18.5832
            4   C1x C    28.9329  -21.9317
            5   O2x O    30.0357  -19.9318
            6   C1z C    30.0415  -18.5832
            7   C1a C    26.7920  -17.6450
            8   C1x C    31.1964  -19.2604
            9   N1x N    30.0415  -17.2604
            10  C1x C    32.3455  -18.5832
            11  C1x C    31.2023  -16.6018
            12  C1y C    32.3572  -17.2661
            13  C1a C    33.5124  -16.6018
            14  C1y C    26.5646  -21.9031
            15  C1z C    26.5646  -20.5723
            16  C1x C    25.4027  -19.8416
            17  C1y C    25.3794  -22.5651
            18  C1x C    24.2119  -20.5093
            19  C1y C    24.2002  -21.8741
            20  C1x C    25.3794  -23.9294
            21  C1z C    23.0221  -22.5534
            22  C2x C    24.1885  -24.6089
            23  C2y C    23.0162  -23.9179
            24  C1x C    21.8441  -21.8681
            25  C1a C    23.0105  -21.1888
            26  C1x C    21.8441  -24.6030
            27  C1x C    20.6588  -22.5534
            28  C1y C    20.6588  -23.9179
            29  O1a O    19.4679  -24.6030
            30  C1a C    26.4996  -19.1637
BOND        35
            1    15   1 1
            2     1   2 1
            3     1   3 1
            4    14   4 1
            5     2   5 1
            6     3   6 1
            7     3   7 1 #Down
            8     6   8 1 #Up
            9     6   9 1 #Down
            10    8  10 1
            11    9  11 1
            12   10  12 1
            13   12  13 1 #Down
            14    2   4 1
            15    5   6 1
            16   11  12 1
            17   14  17 1
            18   16  18 1
            19   17  19 1
            20   17  20 1
            21   19  21 1
            22   20  22 1
            23   21  23 1
            24   21  24 1
            25   21  25 1 #Up
            26   23  26 1
            27   24  27 1
            28   26  28 1
            29   28  29 1 #Up
            30   18  19 1
            31   22  23 2
            32   27  28 1
            33   15  30 1 #Up
            34   15  14 1
            35   15  16 1

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