KEGG   COMPOUND: C11590Help
Entry
C11590                      Compound                               

Name
Beauvericin
Formula
C45H57N3O9
Exact mass
783.4095
Mol weight
783.9488
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C11590  Beauvericin
BRITE hierarchy
Other DBs
CAS: 26048-05-5
PubChem: 13755
ChEBI: 3000
ChEMBL: CHEMBL1977672
KNApSAcK: C00027924
NIKKAJI: J21.174E
LinkDB All DBs
KCF data Show

ATOM        57
            1   C1y C    30.2939  -18.8516
            2   C7x C    30.2939  -20.2312
            3   O7x O    29.1232  -20.7372
            4   C1y C    29.0985  -22.1096
            5   C5x C    27.8509  -22.7441
            6   N1y N    26.7390  -21.8636
            7   C1y C    25.6105  -22.6934
            8   C7x C    24.3759  -22.0342
            9   O7x O    24.5011  -20.6533
            10  C1y C    23.1965  -20.1418
            11  C5x C    23.1951  -18.7546
            12  N1y N    24.3596  -18.2592
            13  C1y C    24.3835  -16.8871
            14  C7x C    25.6190  -16.2567
            15  O7x O    26.7235  -17.1314
            16  C1y C    27.8629  -16.2797
            17  C5x C    28.9645  -16.9531
            18  N1y N    28.9793  -18.3267
            19  O6a O    25.6083  -14.8513
            20  C1c C    27.8315  -14.8816
            21  C1a C    28.9225  -14.0910
            22  C1a C    26.4990  -14.2668
            23  O5x O    30.3422  -16.2966
            24  C1a C    27.7840  -19.0641
            25  C1b C    31.4476  -18.0606
            26  C8y C    32.7103  -18.6677
            27  C8x C    32.6704  -20.0598
            28  C8x C    34.0733  -20.6740
            29  C8x C    35.1639  -19.8829
            30  C8x C    35.1318  -18.4849
            31  C8x C    33.8690  -17.8778
            32  O6a O    31.4430  -21.0288
            33  C1c C    30.3250  -22.7867
            34  C1a C    30.2782  -24.1884
            35  C1a C    31.5280  -22.0694
            36  O5x O    27.8515  -24.1391
            37  C1a C    26.7642  -20.6021
            38  C1b C    25.6410  -24.0915
            39  C8y C    24.5566  -24.8812
            40  C8x C    23.3027  -24.2637
            41  C8x C    22.1412  -25.0533
            42  C8x C    22.1016  -26.3815
            43  C8x C    23.5037  -27.0601
            44  C8x C    24.5953  -26.2775
            45  O6a O    23.1475  -22.6949
            46  C1c C    22.0394  -20.9380
            47  C1a C    20.7740  -20.3367
            48  C1a C    22.0778  -22.3357
            49  O5x O    22.0398  -17.9632
            50  C1a C    25.5473  -19.0089
            51  C1b C    23.1634  -16.2112
            52  C8y C    23.1387  -14.8095
            53  C8x C    24.3353  -14.0870
            54  C8x C    24.3806  -12.6854
            55  C8x C    23.0836  -12.0095
            56  C8x C    21.8881  -12.7280
            57  C8x C    21.9128  -14.1297
BOND        60
            1    13  14 1
            2    26  27 2
            3    27  28 1
            4    28  29 2
            5    29  30 1
            6    30  31 2
            7    31  26 1
            8    14  15 1
            9     2  32 2
            10   11  12 1
            11    4  33 1
            12   16  17 1
            13   33  34 1
            14   17  18 1
            15   33  35 1
            16   15  16 1
            17    5  36 2
            18    1  18 1
            19    6  37 1
            20    7  38 1
            21   14  19 2
            22   38  39 1
            23    1   2 1
            24   16  20 1
            25    2   3 1
            26   20  21 1
            27    4   5 1
            28   39  40 2
            29   40  41 1
            30   41  42 2
            31   42  43 1
            32   43  44 2
            33   44  39 1
            34   20  22 1
            35    8  45 2
            36    5   6 1
            37   10  46 1
            38   17  23 2
            39   46  47 1
            40    6   7 1
            41   46  48 1
            42   18  24 1
            43   11  49 2
            44    3   4 1
            45   12  50 1
            46    1  25 1
            47   13  51 1
            48    8   9 1
            49   51  52 1
            50   25  26 1
            51    9  10 1
            52   10  11 1
            53    7   8 1
            54   12  13 1
            55   52  53 2
            56   53  54 1
            57   54  55 2
            58   55  56 1
            59   56  57 2
            60   57  52 1

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