KEGG   COMPOUND: C17404
Entry
C17404                      Compound                               
Name
Penicillin X
Formula
C16H18N2O5S
Exact mass
350.0936
Mol weight
350.3895
Structure
Other DBs
CAS: 525-91-7
PubChem: 96023757
ChEBI: 81065
NIKKAJI: J13.969F
LinkDB
KCF data

ATOM        24
            1   C1y C    28.6100  -16.8326
            2   C5x C    28.6100  -18.2374
            3   N1y N    30.0149  -18.2374
            4   C1y C    30.0149  -16.8326
            5   C1y C    31.3494  -18.6588
            6   C1z C    32.1922  -17.5349
            7   S2x S    31.3494  -16.4110
            8   C1a C    33.1757  -18.5183
            9   C1a C    33.1757  -16.5515
            10  C6a C    31.8411  -19.9933
            11  O6a O    33.2458  -19.9933
            12  O6a O    30.9981  -21.1171
            13  N1b N    27.4159  -16.1301
            14  C5a C    26.2218  -16.8326
            15  O5x O    27.4159  -18.9397
            16  O5a O    26.2218  -18.2374
            17  C1b C    25.0023  -16.1350
            18  C8y C    23.8099  -16.8303
            19  C8x C    22.5963  -16.1296
            20  C8x C    21.3828  -16.8303
            21  C8y C    21.3828  -18.2315
            22  C8x C    22.5963  -18.9321
            23  C8x C    23.8099  -18.2315
            24  O1a O    20.1602  -18.9378
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   21  24 1

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