KEGG   COMPOUND: C00799Help
Entry
C00799                      Compound                               

Name
Isoflavone
Formula
C15H10O2
Exact mass
222.0681
Mol weight
222.2387
Structure
Mol fileKCF fileDB search
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 Show

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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