KEGG   COMPOUND: C11129
Entry
C11129                      Compound                               
Name
Isatin;
1H-Indole-2,3-dione
Formula
C8H5NO2
Exact mass
147.0320
Mol weight
147.13
Structure
Reaction
R11181
Enzyme
3.5.2.20
Other DBs
CAS: 91-56-5
PubChem: 13311
ChEBI: 27539
KNApSAcK: C00026981
PDB-CCD: ISN[PDBj]
NIKKAJI: J4.342G
LinkDB
KCF data

ATOM        11
            1   C8x C    25.0382  -19.3797
            2   C8x C    25.0382  -20.7790
            3   C8x C    26.2530  -21.4787
            4   C8x C    26.2530  -18.6800
            5   C8y C    27.4607  -19.3797
            6   C8y C    27.4547  -20.7824
            7   N1x N    28.7871  -21.2215
            8   C5x C    29.6161  -20.0900
            9   C5x C    28.7964  -18.9517
            10  O5x O    29.2345  -17.6228
            11  O5x O    31.0155  -20.0958
BOND        12
            1     1   2 1
            2     2   3 2
            3     3   6 1
            4     5   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9   5 1
            10    4   1 2
            11    9  10 2
            12    8  11 2

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