KEGG   COMPOUND: C10216Help
Entry
C10216                      Compound                               

Name
Daidzin;
Daidzein 7-O-glucoside
Formula
C21H20O9
Exact mass
416.1107
Mol weight
416.3781
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoflavonoid biosynthesis
Enzyme
2.3.1.115       2.4.1.170
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C10216  Daidzin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C10216  Daidzin
BRITE hierarchy
Other DBs
CAS: 
552-66-9
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C8y C    30.1528  -15.2596
            2   C8y C    30.1471  -16.6483
            3   C8x C    28.9566  -14.5710
            4   O2x O    31.3549  -14.5769
            5   C8y C    31.3433  -17.3543
            6   C8x C    28.9566  -17.3485
            7   C8y C    27.7489  -15.2596
            8   C8x C    32.5569  -15.2712
            9   C8y C    32.5511  -16.6600
            10  O5x O    31.3374  -18.7431
            11  C8x C    27.7489  -16.6483
            12  O2a O    26.4827  -14.4252
            13  C8y C    33.7473  -17.3602
            14  C1y C    25.0880  -15.2829
            15  C8x C    33.7357  -18.7490
            16  C8x C    34.9552  -16.6658
            17  O2x O    23.8918  -14.5886
            18  C1y C    25.0880  -16.6717
            19  C8x C    34.9435  -19.4433
            20  C8x C    36.1514  -17.3719
            21  C1y C    22.6782  -15.2829
            22  C1y C    23.8918  -17.3660
            23  O1a O    26.2901  -17.3660
            24  C8y C    36.1455  -18.7607
            25  C1y C    22.6782  -16.6717
            26  C1b C    21.4763  -14.5886
            27  O1a O    23.8918  -18.7547
            28  O1a O    37.3476  -19.4549
            29  O1a O    21.4763  -17.3660
            30  O1a O    20.2742  -15.2829
BOND        33
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    9  13 1
            13   14  12 1 #Up
            14   13  15 2
            15   13  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   18  23 1 #Down
            23   19  24 2
            24   21  25 1
            25   21  26 1 #Up
            26   22  27 1 #Up
            27   24  28 1
            28   25  29 1 #Down
            29   26  30 1
            30    7  11 1
            31    8   9 2
            32   20  24 1
            33   22  25 1

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