KEGG   COMPOUND: C14131Help
Entry
C14131                      Compound                               

Name
Equol
Formula
C15H14O3
Exact mass
242.0943
Mol weight
242.2699
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1208 Isoflavans
    C14131  Equol
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavanes
    C14131  Equol
BRITE hierarchy
Other DBs
CAS: 
531-95-3
PubChem: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8y C    24.6159  -15.1654
            2   C8x C    24.6159  -16.5653
            3   C8x C    25.8281  -17.2652
            4   C8y C    27.0404  -16.5653
            5   C8y C    27.0404  -15.1654
            6   C8x C    25.8281  -14.4655
            7   C1x C    28.2528  -17.2652
            8   C1y C    29.4650  -16.5653
            9   C1x C    29.4650  -15.1654
            10  O2x O    28.2528  -14.4655
            11  C8y C    30.6800  -17.2667
            12  O1a O    23.4035  -14.4655
            13  C8x C    30.6800  -18.6650
            14  C8x C    31.8923  -19.3649
            15  C8y C    33.1046  -18.6650
            16  C8x C    33.1046  -17.2667
            17  C8x C    31.8923  -16.5668
            18  O1a O    34.3196  -19.3664
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1 #Down
            13    1  12 1
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   11  17 1
            20   15  18 1

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