KEGG   COMPOUND: C09742
Entry
C09742                      Compound                               
Name
Trichothecin
Formula
C19H24O5
Exact mass
332.1624
Mol weight
332.3909
Structure
Other DBs
CAS: 6379-69-7
PubChem: 11930
ChEBI: 69621
KNApSAcK: C00003196
3DMET: B03241
NIKKAJI: J8.402F
LinkDB
KCF data

ATOM        24
            1   C1x C    25.5878  -19.8694
            2   O2x O    26.4316  -18.9726
            3   O7a O    29.7335  -21.3949
            4   C7a C    31.1141  -20.6604
            5   C2b C    32.2826  -21.3313
            6   O6a O    31.1141  -19.2973
            7   C2b C    33.4408  -21.3384
            8   C1a C    34.4463  -20.5838
            9   C1z C    27.3155  -19.9075
            10  C1z C    26.1655  -20.5704
            11  C1y C    27.3213  -18.5893
            12  C1z C    25.0273  -19.9018
            13  C1y C    28.6408  -20.5857
            14  C1a C    26.1538  -21.8827
            15  C1x C    28.6394  -18.6536
            16  O2x O    26.1771  -17.9139
            17  C1y C    25.0330  -18.5776
            18  C1x C    23.8820  -20.5645
            19  C1a C    25.0156  -21.2142
            20  C2x C    23.8820  -17.9081
            21  C5x C    22.7391  -19.9018
            22  C2y C    22.7391  -18.5776
            23  O5x O    21.5936  -20.5645
            24  C1a C    21.5936  -17.9081
BOND        27
            1     1   2 1
            2     5   7 2
            3     4   5 1
            4     7   8 1
            5     3   4 1
            6     4   6 2
            7     9  10 1
            8     9  11 1
            9     9   2 1 #Down
            10   10  12 1
            11   10  13 1
            12   10  14 1 #Up
            13   11  15 1
            14   11  16 1
            15   12  17 1
            16   12  18 1
            17   12  19 1 #Down
            18   17  20 1
            19   18  21 1
            20   20  22 2
            21   21  23 2
            22   22  24 1
            23   13  15 1
            24   16  17 1
            25   21  22 1
            26   13   3 1 #Up
            27    9   1 1

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