KEGG   COMPOUND: C08441Help
Entry
C08441                      Compound                               

Name
Tentoxin
Formula
C22H30N4O4
Exact mass
414.2267
Mol weight
414.498
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C08441  Tentoxin
BRITE hierarchy
Other DBs
CAS: 28540-82-1
PubChem: 10635
ChEBI: 9439
KNApSAcK: C00001521
PDB-CCD: TTX[PDBj]
NIKKAJI: J34.249A
LinkDB All DBs
KCF data Show

ATOM        30
            1   C2y C    28.0409  -17.8152
            2   N1y N    28.0409  -19.2151
            3   C2b C    26.6935  -17.1093
            4   C5x C    29.2541  -17.1093
            5   C5x C    26.8335  -19.9034
            6   C1a C    29.3941  -19.9091
            7   C8y C    25.2760  -17.8152
            8   N1x N    30.4672  -17.8093
            9   O5x O    29.2481  -15.7095
            10  C1y C    26.8335  -21.2916
            11  O5x O    25.7718  -19.8975
            12  C8x C    25.2760  -19.2208
            13  C8x C    24.0627  -17.1093
            14  C1x C    30.4672  -19.2034
            15  N1x N    28.0409  -21.9973
            16  C1b C    25.1301  -22.7673
            17  C8x C    24.0627  -19.9150
            18  C8x C    22.8495  -17.8152
            19  C5x C    31.6806  -19.8975
            20  C5x C    29.2541  -21.2916
            21  C1c C    23.9170  -22.0616
            22  C8x C    22.8495  -19.2208
            23  N1y N    31.6806  -21.2916
            24  O5x O    32.8880  -19.1917
            25  C1y C    30.4672  -21.9973
            26  O5x O    28.1750  -20.3817
            27  C1a C    32.8880  -21.9916
            28  C1a C    30.4615  -23.3972
            29  C1a C    22.7246  -22.7449
            30  C1a C    23.9214  -20.6501
BOND        31
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    7  12 2
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   10  16 1 #Up
            16   12  17 1
            17   13  18 2
            18   14  19 1
            19   15  20 1
            20   16  21 1
            21   17  22 2
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   20  26 2
            26   23  27 1
            27   25  28 1 #Up
            28   18  22 1
            29   23  25 1
            30   21  29 1
            31   21  30 1

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