KEGG   COMPOUND: C06324
Entry
C06324                      Compound                               

Name
Isocarbostyril;
1(2H)-Isoquinolinone;
Isoquinolin-1(2H)-one
Formula
C9H7NO
Exact mass
145.0528
Mol weight
145.158
Structure
Reaction
Enzyme
Other DBs
CAS: 491-30-5
PubChem: 8560
ChEBI: 18350
ChEMBL: CHEMBL339695
PDB-CCD: 4YS[PDBj]
3DMET: B00932
NIKKAJI: J6.052F
LinkDB
KCF data

ATOM        11
            1   C8y C    28.1690  -20.3430
            2   C8y C    28.1690  -18.9456
            3   C8x C    29.3791  -21.0445
            4   C8x C    26.9588  -21.0445
            5   C8y C    29.3791  -18.2441
            6   C8x C    26.9588  -18.2441
            7   C8x C    30.5951  -20.3430
            8   C8x C    25.7427  -20.3430
            9   N4x N    30.5951  -18.9456
            10  O5x O    29.3791  -16.8469
            11  C8x C    25.7427  -18.9456
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7   9 1
            12    8  11 1

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