KEGG   COMPOUND: C00799
Entry
C00799                      Compound                               

Name
Isoflavone
Formula
C15H10O2
Exact mass
222.0681
Mol weight
222.2387
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
1.14.14.90      2.4.1.170
Other DBs
PubChem: 4057
ChEBI: 18220
ChEMBL: CHEMBL366460
NIKKAJI: J46.301I
KCF data

ATOM        17
            1   C8x C    16.8000   -9.5900
            2   C8x C    16.8000  -10.9900
            3   C8x C    18.0124  -11.6900
            4   C8y C    19.2249  -10.9900
            5   C8y C    19.2249   -9.5900
            6   C8x C    18.0124   -8.8900
            7   C8y C    20.4373  -11.6900
            8   C8y C    21.6497  -10.9900
            9   C8x C    21.6497   -9.5900
            10  O2x O    20.4373   -8.8900
            11  C8y C    22.8473  -11.6815
            12  C8x C    22.8473  -13.0897
            13  C8x C    24.0598  -13.7897
            14  C8x C    25.2722  -13.0897
            15  C8x C    25.2722  -11.6815
            16  C8x C    24.0597  -10.9815
            17  O5x O    20.4373  -13.0900
BOND        19
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    7  17 2

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