KEGG   COMPOUND: C16602Help
Entry
C16602                      Compound                               

Name
3-Hydroxycarbamazepine
Formula
C15H12N2O2
Exact mass
252.0899
Mol weight
252.268
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.14.13.-
Other DBs
CAS: 68011-67-6
PubChem: 51090928
ChEBI: 80597
ChEMBL: CHEMBL3103395
NIKKAJI: J620.202K
KCF data Show

ATOM        19
            1   C8y C    23.6438  -20.2917
            2   N1y N    24.8978  -19.6767
            3   C8y C    26.1684  -20.2676
            4   C8y C    26.4945  -21.6199
            5   C8y C    23.3483  -21.6702
            6   C2x C    25.6409  -22.7336
            7   C2x C    24.2389  -22.7520
            8   C8x C    22.6044  -19.3528
            9   C8y C    21.2715  -19.7833
            10  C8x C    20.9761  -21.1618
            11  C8x C    22.0155  -22.1008
            12  C8x C    27.8476  -21.9824
            13  C8x C    28.8380  -20.9919
            14  C8x C    28.4755  -19.6388
            15  C8x C    27.1225  -19.2763
            16  C5a C    24.9534  -18.2771
            17  O5a O    23.7156  -17.5793
            18  N1a N    26.1426  -17.5740
            19  O1a O    20.2505  -18.8612
BOND        21
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     1   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    5  11 2
            13    4  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15   3 2
            18    2  16 1
            19   16  17 2
            20   16  18 1
            21    9  19 1

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