KEGG   COMPOUND: C20129Help
Entry
C20129                      Compound                               

Name
(S)-Warfarin
Formula
C19H16O4
Exact mass
308.1049
Mol weight
308.3279
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 5543-57-7
PubChem: 135626589
ChEMBL: CHEMBL251074
PDB-CCD: SWF[PDBj]
KCF data Show

ATOM        23
            1   C8y C    21.0000  -15.4000
            2   C1c C    22.2600  -16.1000
            3   C8y C    19.8100  -16.1000
            4   C8y C    21.0000  -14.0000
            5   C8y C    22.2600  -17.4300
            6   C1b C    23.4500  -15.4000
            7   C8y C    18.6200  -15.4000
            8   O1a O    19.8100  -17.5700
            9   O7x O    19.8100  -13.2300
            10  O6a O    22.1900  -13.3000
            11  C8x C    21.0000  -18.1300
            12  C8x C    23.4500  -18.1300
            13  C5a C    24.6400  -16.0300
            14  C8y C    18.6200  -14.0000
            15  C8x C    17.3600  -16.1000
            16  C8x C    21.0000  -19.5300
            17  C8x C    23.4500  -19.5300
            18  C1a C    24.6400  -17.5700
            19  O5a O    25.8300  -15.4000
            20  C8x C    17.3600  -13.3000
            21  C8x C    16.1700  -15.4000
            22  C8x C    22.2600  -20.2300
            23  C8x C    16.1700  -14.0000
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15   11  16 1
            16   12  17 2
            17   13  18 1
            18   13  19 2
            19   14  20 1
            20   15  21 2
            21   16  22 2
            22   20  23 2
            23    9  14 1
            24   17  22 1
            25   21  23 1

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