KEGG   COMPOUND: C08477
Entry
C08477                      Compound                               
Name
Dianthalexin;
7-Hydroxy-2-phenyl-4H-3,1-benzoxazin-4-one
Formula
C14H9NO3
Exact mass
239.0582
Mol weight
239.2262
Structure
Other DBs
CAS: 85915-62-4
PubChem: 10670
ChEBI: 4491
KNApSAcK: C00001536
NIKKAJI: J454.224J
LinkDB
KCF data

ATOM        18
            1   C8y C    26.7949  -19.8799
            2   C8y C    26.8007  -18.4763
            3   N5x N    28.0062  -20.5845
            4   C8x C    25.5951  -20.5845
            5   C8y C    28.0179  -17.7890
            6   C8x C    25.5951  -17.7833
            7   C8y C    29.2234  -19.8857
            8   C8y C    24.3838  -19.8799
            9   O7x O    29.1593  -18.4879
            10  O6a O    28.0062  -16.3798
            11  C8x C    24.3838  -18.4763
            12  C8y C    30.4290  -20.5962
            13  O1a O    23.1666  -20.5729
            14  C8x C    30.4233  -21.9940
            15  C8x C    31.6462  -19.8973
            16  C8x C    31.6346  -22.6986
            17  C8x C    32.8575  -20.6079
            18  C8x C    32.8518  -22.0056
BOND        20
            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  12 1
            12    8  13 1
            13   12  14 2
            14   12  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7   9 1
            19    8  11 1
            20   17  18 1

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