KEGG   COMPOUND: C09245
Entry
C09245                      Compound                               
Name
Thienodolin
Formula
C11H7ClN2OS
Exact mass
249.9968
Mol weight
250.7041
Structure
Other DBs
CAS: 149127-27-5
PubChem: 11436
ChEBI: 9543
KNApSAcK: C00001775
NIKKAJI: J532.659A
LinkDB
KCF data

ATOM        16
            1   C8y C    28.2396  -19.8154
            2   C8y C    29.0691  -20.9546
            3   C8y C    26.9076  -20.2535
            4   C8x C    29.0574  -18.6760
            5   N4x N    28.2396  -22.0821
            6   S2x S    30.4011  -20.5105
            7   C8y C    26.9076  -21.6497
            8   C8x C    25.7040  -19.5524
            9   C8y C    30.3953  -19.1084
            10  C8x C    25.7040  -22.3508
            11  C8x C    24.4889  -20.2535
            12  C5a C    31.3768  -18.1212
            13  C8y C    24.4889  -21.6497
            14  N1a N    32.7264  -18.4775
            15  O5a O    31.0088  -16.7656
            16  X   Cl   23.2736  -22.3391
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     7  10 1
            10    8  11 2
            11    9  12 1
            12   10  13 2
            13   12  14 1
            14   12  15 2
            15   13  16 1
            16    5   7 1
            17    6   9 1
            18   11  13 1

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