KEGG   COMPOUND: C09901
Entry
C09901                      Compound                               
Name
Serratine
Formula
C16H25NO3
Exact mass
279.1834
Mol weight
279.3746
Structure
Other DBs
CAS: 15252-93-4
PubChem: 12087
ChEBI: 9121
KNApSAcK: C00001958
3DMET: B03364
NIKKAJI: J676.950K
LinkDB
KCF data

ATOM        20
            1   C1z C    27.9019  -21.0283
            2   C1z C    27.9019  -19.6268
            3   N1y N    26.7632  -21.6647
            4   C5x C    29.2274  -21.4545
            5   C1x C    28.9414  -21.9568
            6   C1y C    29.2274  -19.2006
            7   C1y C    26.8625  -18.6866
            8   C1x C    26.6173  -19.3520
            9   C1x C    27.1311  -23.1712
            10  C1x C    25.6070  -21.0340
            11  C1x C    30.0566  -20.3333
            12  O5x O    29.8694  -22.7392
            13  C1x C    28.3807  -23.1654
            14  C1x C    29.5195  -17.8341
            15  C1x C    27.1604  -17.3261
            16  O1a O    25.4553  -18.6809
            17  C1x C    25.6070  -19.9768
            18  C1z C    28.4918  -16.8999
            19  C1a C    29.8348  -16.5319
            20  O1a O    27.4874  -15.8955
BOND        23
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    4  12 2
            12    5  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17   14  18 1
            18   18  19 1 #Down
            19   18  20 1 #Up
            20    6  11 1
            21    9  13 1
            22   10  17 1
            23   15  18 1

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