KEGG   COMPOUND: C13778Help
Entry
C13778                      Compound                               

Name
HMR1556
Formula
C15H20N2O4S
Exact mass
324.1144
Mol weight
324.3953
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 854023
ChEBI: 34781
ChEMBL: CHEMBL338273
NIKKAJI: J1.427.879F
KCF data Show

ATOM        22
            1   C8y C    25.6153  -20.2238
            2   C8x C    25.6153  -21.6231
            3   C8x C    26.8271  -22.3226
            4   C8y C    28.0389  -21.6231
            5   C8y C    28.0389  -20.2238
            6   C8x C    26.8271  -19.5243
            7   O2x O    29.2506  -22.3226
            8   C1z C    30.4623  -21.6231
            9   C1y C    30.4623  -20.2238
            10  C1y C    29.2506  -19.5243
            11  C3b C    24.4036  -19.5243
            12  N3a N    23.1900  -18.8247
            13  N1c N    29.2506  -18.1250
            14  C1a C    31.1654  -22.8357
            15  O1a O    31.6768  -19.5227
            16  S4a S    30.4644  -17.4243
            17  C1a C    28.0409  -17.4267
            18  O3c O    29.7662  -16.2129
            19  O3c O    31.1654  -18.6381
            20  C1b C    31.6786  -16.7259
            21  C1a C    32.8891  -17.4274
            22  C1a C    31.8698  -21.6271
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13   11  12 3
            14   10  13 1
            15    8  14 1
            16    9  15 1
            17   13  16 1
            18   13  17 1
            19   16  18 2
            20   16  19 2
            21   16  20 1
            22   20  21 1
            23    8  22 1

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