KEGG   COMPOUND: C09126Help
Entry
C09126                      Compound                               

Name
Genistein 7-O-beta-D-glucoside;
Genistein
Formula
C21H20O10
Exact mass
432.1056
Mol weight
432.3775
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
2.3.1.115       2.4.1.170
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C09126  Genistein 7-O-beta-D-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C09126  Genistein 7-O-beta-D-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Isoflavones
    C09126  Genistein 7-O-beta-D-glucoside
BRITE hierarchy
Other DBs
CAS: 529-59-9
PubChem: 11318
ChEBI: 27514
ChEMBL: CHEMBL486625
KNApSAcK: C00002528
3DMET: B02701
NIKKAJI: J40.719D
KCF data Show

ATOM        31
            1   C8y C    20.1600  -40.9500
            2   C8x C    20.1600  -42.3500
            3   C8y C    21.3724  -43.0500
            4   C8y C    22.5849  -42.3500
            5   C8y C    22.5849  -40.9500
            6   C8x C    21.3724  -40.2500
            7   C8y C    23.7973  -43.0500
            8   C8y C    25.0097  -42.3500
            9   C8x C    25.0097  -40.9500
            10  O2x O    23.7973  -40.2500
            11  C8y C    26.2073  -43.0415
            12  C8x C    26.2073  -44.4497
            13  C8x C    27.4198  -45.1497
            14  C8y C    28.6322  -44.4497
            15  C8x C    28.6322  -43.0415
            16  C8x C    27.4197  -42.3415
            17  O1a O    29.8431  -45.1488
            18  O5x O    23.7973  -44.4500
            19  O1a O    21.3724  -44.4498
            20  O2a O    18.9476  -40.2500
            21  C1y C    17.7521  -40.9404
            22  O2x O    16.5647  -40.2549
            23  C1y C    15.3523  -40.9550
            24  C1y C    15.3524  -42.3550
            25  C1y C    16.5397  -43.0404
            26  C1y C    17.7521  -42.3404
            27  C1b C    14.1210  -40.2440
            28  O1a O    16.5399  -44.4499
            29  O1a O    14.1255  -43.0636
            30  O1a O    18.9896  -43.0549
            31  O1a O    12.9203  -40.9373
BOND        34
            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 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   14  17 1
            20    7  18 2
            21    3  19 1
            22    1  20 1
            23   21  20 1 #Up
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   23  27 1 #Up
            31   25  28 1 #Up
            32   24  29 1 #Down
            33   26  30 1 #Down
            34   27  31 1

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