KEGG   COMPOUND: C09045
Entry
C09045                      Compound                               
Name
Baloxine
Formula
C21H24N2O4
Exact mass
368.1736
Mol weight
368.4263
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09045  Baloxine
Other DBs
CAS: 38225-09-1
PubChem: 11237
ChEBI: 2988
3DMET: B02639
NIKKAJI: J17.992B
KCF data

ATOM        27
            1   C1z C    26.6466  -16.3874
            2   C1y C    27.8366  -15.6927
            3   C2y C    26.6524  -17.7533
            4   C8y C    24.2921  -16.3874
            5   C1x C    25.7760  -15.2628
            6   C1z C    29.0255  -16.3814
            7   N1y N    27.8949  -14.2392
            8   C2y C    27.8482  -18.4363
            9   N1x N    25.4694  -18.4363
            10  C8y C    24.2921  -17.7533
            11  C8x C    23.1093  -15.7101
            12  C1x C    26.4706  -14.2266
            13  C1x C    29.0371  -17.7592
            14  C1x C    30.2199  -15.6811
            15  C1c C    30.1850  -17.0470
            16  C1x C    29.0195  -13.6146
            17  C8x C    23.1093  -18.4422
            18  C8x C    21.9437  -16.3874
            19  C5x C    30.2257  -14.2976
            20  C1a C    31.3506  -16.3757
            21  C8x C    21.9437  -17.7533
            22  O5x O    31.4261  -13.5933
            23  O1a O    30.1731  -18.4359
            24  C7a C    27.8433  -19.8225
            25  O6a O    26.6397  -20.5122
            26  O7a O    29.0469  -20.5122
            27  C1a C    30.2604  -19.8064
BOND        31
            1     2   7 1
            2     3   8 2
            3     3   9 1
            4     4  10 2
            5     4  11 1
            6     5  12 1
            7     6  13 1
            8     6  14 1 #Up
            9     6  15 1
            10    7  16 1
            11   10  17 1
            12   11  18 2
            13   14  19 1
            14   15  20 1
            15   17  21 2
            16    7  12 1
            17    8  13 1
            18    9  10 1
            19   16  19 1
            20   18  21 1
            21   19  22 2
            22    1   2 1
            23   15  23 1 #Down
            24    1   3 1
            25    8  24 1
            26    1   4 1
            27   24  25 2
            28    1   5 1 #Up
            29   24  26 1
            30    2   6 1
            31   26  27 1

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