KEGG   DRUG: CianidanolHelp
Entry
D00200                      Drug                                   

Name
Cianidanol (JAN/INN)
Formula
C15H14O6. H2O
Exact mass
308.0896
Mol weight
308.2833
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Liver function improving agent
Other DBs
PubChem: 7847268
ChEMBL: CHEMBL1256783
LigandBox: D00200
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    27.6787  -16.3391
            2   C8y C    28.8964  -15.6399
            3   O2x O    26.4668  -15.6282
            4   C1y C    27.6727  -17.7374
            5   C8x C    28.8964  -14.2415
            6   C8x C    30.1082  -16.3507
            7   C8y C    25.2491  -16.3274
            8   C1x C    26.4552  -18.4307
            9   O1a O    28.8788  -18.4424
            10  C8y C    30.1142  -13.5423
            11  C8x C    31.3260  -15.6515
            12  C8y C    25.2432  -17.7315
            13  C8x C    24.0430  -15.6225
            14  C8y C    31.3260  -14.2474
            15  O1a O    30.1142  -12.1499
            16  C8y C    24.0430  -18.4250
            17  C8y C    22.8310  -16.3274
            18  O1a O    32.5380  -13.5540
            19  C8x C    22.8310  -17.7315
            20  O1a O    24.0430  -19.8233
            21  O1a O    21.6192  -15.6341
            22  O0  O    33.1800  -17.6400
BOND        23
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    7  13 2
            13   10  14 1
            14   10  15 1
            15   12  16 2
            16   13  17 1
            17   14  18 1
            18   16  19 1
            19   16  20 1
            20   17  21 1
            21    8  12 1
            22   11  14 2
            23   17  19 2

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