KEGG   COMPOUND: C19565Help
Entry
C19565                      Compound                               

Name
4-Hydroxy-1-(3-pyridinyl)-1-butanone
Formula
C9H11NO2
Exact mass
165.079
Mol weight
165.1891
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Other DBs
CAS: 59578-62-0
PubChem: 124490237
ChEBI: 82563
ChEMBL: CHEMBL17416
KCF data Show

ATOM        12
            1   N5x N    18.0389  -19.7641
            2   C8x C    18.0389  -21.1608
            3   C8x C    19.2485  -21.8592
            4   C8x C    20.4582  -21.1608
            5   C8y C    20.4582  -19.7641
            6   C8x C    19.2485  -19.0657
            7   C5a C    21.6928  -19.0657
            8   C1b C    22.9025  -19.7641
            9   C1b C    24.1121  -19.0657
            10  C1b C    25.3216  -19.7641
            11  O1a O    26.5313  -19.0657
            12  O5a O    21.6990  -17.6692
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  12 2

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