KEGG   COMPOUND: C04074
Entry
C04074                      Compound                               

Name
Isoflavone 7-O-beta-D-glucoside
Formula
C21H20O8
Exact mass
400.1158
Mol weight
400.3787
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Brite
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Isoflavones
    C04074  Isoflavone 7-O-beta-D-glucoside
Other DBs
PubChem: 6769
ChEBI: 18174
NIKKAJI: J2.746.247B
KCF data

ATOM        29
            1   C8y C    19.7762  -16.8763
            2   C8y C    19.7762  -15.4668
            3   C8x C    18.5588  -17.5876
            4   O2x O    21.0128  -17.5813
            5   C8y C    20.9999  -14.7492
            6   C8x C    18.5588  -14.7685
            7   C8y C    17.3479  -16.8763
            8   C8x C    22.2430  -16.8828
            9   C8y C    22.2302  -15.4540
            10  O5x O    20.9936  -13.3588
            11  C8x C    17.3479  -15.4668
            12  O2a O    16.1370  -17.5685
            13  C8y C    23.4346  -14.7557
            14  C1y C    14.9259  -18.2604
            15  C8x C    24.6457  -15.4476
            16  C8x C    23.4283  -13.3716
            17  O2x O    13.7086  -17.5685
            18  C1y C    14.9259  -19.6571
            19  C8x C    25.8566  -14.7492
            20  C8x C    24.6264  -12.6605
            21  C1y C    12.5040  -18.2604
            22  C1y C    13.7086  -20.3556
            23  O1a O    16.1370  -20.3556
            24  C8x C    25.8438  -13.3525
            25  C1y C    12.5040  -19.6636
            26  C1b C    11.3123  -17.5685
            27  O1a O    13.7086  -21.7458
            28  O1a O    11.3123  -20.3556
            29  O1a O    10.2422  -18.4653
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            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   25  28 1 #Down
            28   26  29 1
            29    7  11 2
            30    8   9 2
            31   20  24 1
            32   22  25 1

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