KEGG   COMPOUND: C16197
Entry
C16197                      Compound                               
Name
Malonylglycitin
Formula
C25H24O13
Exact mass
532.1217
Mol weight
532.4503
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C16197  Malonylglycitin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C16197  Malonylglycitin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Isoflavones
    C16197  Malonylglycitin
Dietary phytochemicals [br08012.html]
 Flavonoids
  C16197
Other DBs
PubChem: 47205505
ChEBI: 80374
NIKKAJI: J759.938B
LinkDB
KCF data

ATOM        38
            1   C8y C    34.3000  -34.3000
            2   C8y C    34.3000  -35.7000
            3   C8x C    35.5600  -36.4000
            4   C8y C    36.7500  -35.7000
            5   C8y C    36.7500  -34.3000
            6   C8x C    35.5600  -33.6000
            7   C8y C    37.9400  -36.4000
            8   C8y C    39.2000  -35.7000
            9   C8x C    39.2000  -34.3000
            10  O2x O    37.9400  -33.6000
            11  C8y C    40.3900  -36.4000
            12  C8x C    40.3900  -37.8000
            13  C8x C    41.5800  -38.5000
            14  C8y C    42.7700  -37.8000
            15  C8x C    42.7700  -36.4000
            16  C8x C    41.5800  -35.7000
            17  O2a O    33.1100  -36.4000
            18  C1a C    33.1100  -37.8000
            19  O2a O    33.1100  -33.6000
            20  C1y C    31.9200  -34.3000
            21  O2x O    30.7300  -33.6000
            22  C1y C    29.5400  -34.3000
            23  C1y C    29.5400  -35.7000
            24  C1y C    30.6600  -36.4000
            25  C1y C    31.9200  -35.7000
            26  O1a O    31.9200  -37.1000
            27  O1a O    30.6600  -37.8000
            28  O1a O    28.2800  -36.4700
            29  C1b C    28.2800  -33.6000
            30  O5x O    37.9400  -37.8000
            31  O1a O    44.0300  -38.5000
            32  O7a O    27.0900  -34.3000
            33  C7a C    25.9000  -33.6000
            34  C1b C    24.7100  -34.3000
            35  O6a O    25.9000  -32.2000
            36  C6a C    23.5200  -33.6000
            37  O6a O    22.3300  -34.3000
            38  O6a O    23.5200  -32.2000
BOND        41
            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    2  17 1
            20   17  18 1
            21    1  19 1
            22   20  19 1 #Up
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29   25  26 1 #Down
            30   24  27 1 #Up
            31   23  28 1 #Down
            32   22  29 1 #Up
            33    7  30 2
            34   14  31 1
            35   29  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2
            39   34  36 1
            40   36  37 1
            41   36  38 2

» Japanese version

DBGET integrated database retrieval system