KEGG   COMPOUND: C01927Help
Entry
C01927                      Compound                               

Name
Isoflavanone
Formula
C15H12O2
Exact mass
224.0837
Mol weight
224.2546
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 4737-27-3
PubChem: 5033
ChEBI: 27945
ChEMBL: CHEMBL2011171
NIKKAJI: J46.302G
KCF data Show

ATOM        17
            1   C1y C    22.7777  -16.5079
            2   C8y C    23.9082  -15.8056
            3   C5x C    21.5517  -15.8056
            4   C1x C    22.7205  -17.9254
            5   C8x C    25.1849  -16.4952
            6   C8x C    23.9717  -14.4265
            7   C8y C    20.3385  -16.5142
            8   O5x O    21.5454  -14.5537
            9   O2x O    21.5645  -18.6277
            10  C8x C    26.3916  -15.8056
            11  C8x C    25.1656  -13.7177
            12  C8y C    20.3385  -17.9191
            13  C8x C    19.1190  -15.8247
            14  C8x C    26.3725  -14.4072
            15  C8x C    19.1190  -18.6342
            16  C8x C    17.9123  -16.5142
            17  C8x C    17.9123  -17.9191
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13   10  14 1
            14   12  15 1
            15   13  16 2
            16   15  17 2
            17    9  12 1
            18   11  14 2
            19   16  17 1

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