KEGG   COMPOUND: C17003
Entry
C17003                      Compound                               
Name
Neogitogenin
Formula
C27H44O4
Exact mass
432.324
Mol weight
432.6359
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C17003  Neogitogenin
Other DBs
PubChem: 96023488
ChEBI: 80854
NIKKAJI: J8.842K
LinkDB
KCF data

ATOM        31
            1   C1y C    21.3684  -20.7678
            2   C1y C    21.3684  -22.1137
            3   C1x C    22.5341  -22.7867
            4   C1y C    23.6999  -22.1137
            5   C1z C    23.6999  -20.7678
            6   C1x C    22.5341  -20.0947
            7   C1x C    24.8655  -22.7867
            8   C1x C    26.0312  -22.1137
            9   C1y C    26.0312  -20.7678
            10  C1y C    24.8655  -20.0947
            11  C1y C    27.1969  -20.0947
            12  C1z C    27.1969  -18.7487
            13  C1x C    26.0312  -18.0757
            14  C1x C    24.8655  -18.7487
            15  C1x C    29.5282  -20.0947
            16  C1y C    29.5282  -18.7487
            17  C1y C    28.3626  -18.0757
            18  O2x O    30.6940  -18.0757
            19  C1z C    30.6940  -16.7296
            20  C1y C    28.3626  -16.7296
            21  O2x O    32.0215  -17.0855
            22  C1x C    32.9734  -16.1338
            23  C1y C    32.6251  -14.8337
            24  C1x C    31.2976  -14.4777
            25  C1x C    30.3458  -15.4295
            26  C1a C    33.5625  -13.8963
            27  C1a C    27.4134  -15.7803
            28  C1a C    27.1969  -17.4027
            29  C1a C    23.6999  -19.4217
            30  O1a O    20.2027  -22.7867
            31  O1a O    20.2027  -20.0947
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   16  18 1
            22   18  19 1
            23   19  20 1
            24   17  20 1
            25   19  21 1
            26   21  22 1
            27   22  23 1
            28   23  24 1
            29   24  25 1
            30   19  25 1 #Up
            31   23  26 1 #Down
            32   20  27 1 #Down
            33   12  28 1 #Up
            34    5  29 1 #Up
            35    2  30 1 #Up
            36    1  31 1 #Down

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