KEGG   COMPOUND: C08536
Entry
C08536                      Compound                               

Name
Pretazettine
Formula
C18H21NO5
Exact mass
331.142
Mol weight
331.363
Structure
Other DBs
CAS: 17322-84-8
PubChem: 10729
ChEBI: 8402
ChEMBL: CHEMBL518912 CHEMBL606758
KNApSAcK: C00001580
3DMET: B02206
NIKKAJI: J14.335I
KCF data

ATOM        24
            1   C1z C    28.9383  -19.9384
            2   C8y C    27.7380  -20.6610
            3   C1y C    30.1911  -20.6319
            4   C1y C    30.1328  -19.2044
            5   C2x C    27.6273  -19.2568
            6   C8y C    27.6914  -22.0537
            7   C8x C    26.5086  -19.9910
            8   C1x C    31.5722  -20.6495
            9   O2x O    30.1737  -22.0128
            10  N1y N    31.5429  -19.1694
            11  C1x C    30.1037  -17.7943
            12  C2x C    27.6740  -17.8526
            13  C8x C    26.5785  -22.7763
            14  C1y C    28.9966  -22.7296
            15  C8y C    25.3257  -20.7135
            16  C1a C    32.7434  -18.4293
            17  C1y C    28.8802  -17.1241
            18  C8y C    25.3548  -22.0944
            19  O1a O    29.0083  -24.1281
            20  O2x O    24.0089  -20.3173
            21  O2a O    28.8276  -15.7140
            22  O2x O    24.0496  -22.5547
            23  C1x C    23.2223  -21.4535
            24  C1a C    30.0105  -14.9740
BOND        28
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    7  15 2
            15   10  16 1
            16   11  17 1
            17   13  18 2
            18   14  19 1 #Up
            19   15  20 1
            20   17  21 1 #Up
            21   18  22 1
            22   20  23 1
            23   21  24 1
            24    8  10 1
            25    9  14 1
            26   12  17 1
            27   15  18 1
            28   22  23 1

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