KEGG   COMPOUND: C16192
Entry
C16192                      Compound                               

Name
Malonylgenistin
Formula
C24H22O13
Exact mass
518.106
Mol weight
518.4237
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C16192  Malonylgenistin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Isoflavones
    C16192  Malonylgenistin
Other DBs
PubChem: 47205500
ChEBI: 80372
ChEMBL: CHEMBL3426722
KNApSAcK: C00010110
NIKKAJI: J485.134J
KCF data

ATOM        37
            1   C8y C    22.5400  -36.0500
            2   C8x C    22.5400  -37.4500
            3   C8y C    23.7524  -38.1500
            4   C8y C    24.9649  -37.4500
            5   C8y C    24.9649  -36.0500
            6   C8x C    23.7524  -35.3500
            7   C8y C    26.1773  -38.1500
            8   C8y C    27.3897  -37.4500
            9   C8x C    27.3897  -36.0500
            10  C8y C    28.5873  -38.1415
            11  C8x C    28.5873  -39.5497
            12  C8x C    29.7998  -40.2497
            13  C8y C    31.0122  -39.5497
            14  C8x C    31.0122  -38.1415
            15  C8x C    29.7997  -37.4415
            16  O1a O    32.2231  -40.2488
            17  O5x O    26.1773  -39.5500
            18  O1a O    23.7524  -39.5498
            19  O2a O    21.3276  -35.3500
            20  C1y C    20.1321  -36.0404
            21  O2x O    18.9447  -35.3549
            22  C1y C    17.7323  -36.0550
            23  C1y C    17.7324  -37.4550
            24  C1y C    18.9197  -38.1404
            25  C1y C    20.1321  -37.4404
            26  C1b C    16.5010  -35.3440
            27  O1a O    18.9199  -39.5499
            28  O1a O    16.5055  -38.1636
            29  O1a O    21.3696  -38.1549
            30  O7a O    15.3003  -36.0373
            31  O2x O    26.1960  -35.3390
            32  C7a C    14.1156  -35.3533
            33  C1b C    12.9230  -36.0421
            34  C6a C    11.7343  -35.3557
            35  O6a O    10.5437  -36.0433
            36  O6a O    14.1155  -33.9502
            37  O6a O    11.7341  -33.9502
BOND        40
            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    8  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17   13  16 1
            18    7  17 2
            19    3  18 1
            20    1  19 1
            21   20  19 1 #Up
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   20  25 1
            28   22  26 1 #Up
            29   24  27 1 #Up
            30   23  28 1 #Down
            31   25  29 1 #Down
            32   26  30 1
            33    5  31 1
            34   31   9 1
            35   30  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   32  36 2
            40   34  37 2

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