KEGG   COMPOUND: C12105
Entry
C12105                      Compound                               
Name
Thiotropocin
Formula
C8H4O3S2
Exact mass
211.9602
Mol weight
212.2456
Structure
Other DBs
CAS: 89550-93-6
PubChem: 14252
ChEBI: 29694
KNApSAcK: C00000333
NIKKAJI: J203.828E
LinkDB
KCF data

ATOM        13
            1   C8y C    29.5380  -19.7935
            2   C8y C    26.6840  -21.1270
            3   C8x C    29.8411  -21.1606
            4   C8x C    27.5491  -22.2338
            5   C8x C    28.9533  -22.2439
            6   C8y C    27.0121  -19.7532
            7   C8y C    28.2776  -19.1711
            8   C8y C    28.1149  -17.7877
            9   O7x O    26.7489  -17.5150
            10  S2x S    26.0674  -18.7298
            11  O6a O    29.1454  -16.8363
            12  S0  S    25.3136  -21.4255
            13  O1a O    30.6414  -18.9280
BOND        14
            1     1   3 2
            2     2   4 1
            3     6   2 1
            4     6   7 2
            5     7   8 1
            6     8   9 1
            7     9  10 1
            8    10   6 1
            9     3   5 1
            10    8  11 2
            11    4   5 2
            12    2  12 2
            13    7   1 1
            14    1  13 1

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