KEGG   COMPOUND: C10572
Entry
C10572                      Compound                               
Name
Balsoxine;
2-Phenyl-5-(3,4-dimethoxyphenyl)oxazole
Formula
C17H15NO3
Exact mass
281.1052
Mol weight
281.3059
Structure
Other DBs
CAS: 70216-32-9
PubChem: 12755
ChEBI: 2989
KNApSAcK: C00002317
3DMET: B03967
NIKKAJI: J19.290B
LinkDB
KCF data

ATOM        21
            1   C8y C    28.5832  -17.7932
            2   C8y C    29.8068  -18.4925
            3   O2x O    27.4235  -18.5741
            4   C8x C    28.1986  -16.4473
            5   C8x C    29.7951  -19.8969
            6   C8x C    31.0304  -17.8108
            7   C8y C    26.3166  -17.7118
            8   N5x N    26.8002  -16.3948
            9   C8y C    31.0013  -20.6135
            10  C8x C    32.2366  -18.5217
            11  C8y C    25.1161  -18.4168
            12  C8y C    32.2891  -19.9202
            13  O2a O    30.9837  -22.0003
            14  C8x C    25.1161  -19.8210
            15  C8x C    23.8983  -17.7175
            16  O2a O    33.4194  -20.6309
            17  C1a C    32.1899  -22.7053
            18  C8x C    23.8983  -20.5202
            19  C8x C    22.6864  -18.4168
            20  C1a C    33.4137  -22.0236
            21  C8x C    22.6864  -19.8210
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    9  12 2
            12    9  13 1
            13   11  14 2
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   16  20 1
            20   18  21 2
            21    7   8 2
            22   10  12 1
            23   19  21 1

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