KEGG   COMPOUND: C09738Help
Entry
C09738                      Compound                               

Name
T-2 Toxin
Formula
C24H34O9
Exact mass
466.2203
Mol weight
466.5214
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C09738  T-2 Toxin
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Trichothecenes
    C09738  T-2 Toxin
BRITE hierarchy
Other DBs
CAS: 21259-20-1
PubChem: 11926
ChEBI: 9381
ChEMBL: CHEMBL1989781
KNApSAcK: C00003192
3DMET: B03237
NIKKAJI: J3.789C
KCF data Show

ATOM        33
            1   C1x C    19.7850  -15.1343
            2   O2x O    20.1262  -14.1981
            3   C7a C    16.9892  -18.4839
            4   O7a O    18.3726  -17.6320
            5   C1a C    16.9892  -19.8637
            6   O6a O    15.7963  -17.7940
            7   O7a O    23.9026  -16.5339
            8   C1z C    21.3582  -15.1511
            9   C1z C    20.1989  -15.8118
            10  C1y C    21.3639  -13.8244
            11  C1z C    19.0513  -15.1452
            12  C1y C    22.6708  -15.7918
            13  C1a C    20.1873  -17.1399
            14  C1y C    22.6910  -13.8186
            15  O2x O    20.2106  -13.1520
            16  C1y C    19.0570  -13.8127
            17  C1x C    17.9039  -15.8061
            18  C1b C    19.0397  -16.4734
            19  O1a O    23.6357  -12.8866
            20  C2x C    17.9039  -13.1461
            21  C1y C    16.7504  -15.1452
            22  C2y C    16.7504  -13.8127
            23  O7a O    15.5842  -15.8061
            24  C1a C    15.5842  -13.1461
            25  C7a C    14.4437  -15.1511
            26  C1b C    13.2962  -15.8118
            27  O6a O    14.4379  -13.8186
            28  C1c C    12.1300  -15.1569
            29  C1a C    10.9894  -15.8178
            30  C1a C    12.1300  -13.8244
            31  C7a C    25.1425  -15.8149
            32  C1a C    26.3547  -16.5147
            33  O6a O    25.1412  -14.4155
BOND        36
            1     3   4 1
            2     3   5 1
            3     1   2 1
            4     3   6 2
            5     8   9 1
            6     8  10 1
            7     8   2 1 #Down
            8     9  11 1
            9     9  12 1
            10    9  13 1 #Up
            11   10  14 1
            12   10  15 1
            13   11  16 1
            14   11  17 1
            15   11  18 1 #Down
            16   14  19 1 #Down
            17   16  20 1
            18   17  21 1
            19   18   4 1
            20   20  22 2
            21   21  23 1 #Down
            22   22  24 1
            23   23  25 1
            24   25  26 1
            25   25  27 2
            26   26  28 1
            27   28  29 1
            28   28  30 1
            29   12  14 1
            30   15  16 1
            31   21  22 1
            32   12   7 1 #Up
            33    8   1 1
            34    7  31 1
            35   31  32 1
            36   31  33 2

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