KEGG   COMPOUND: C10020
Entry
C10020                      Compound                               

Name
Apigenin 7-(6''-malonylglucoside);
Apigenin 7-O-(6-malonyl-beta-D-glucoside)
Formula
C24H22O13
Exact mass
518.106
Mol weight
518.4237
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10020  Apigenin 7-(6''-malonylglucoside)
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C10020  Apigenin 7-(6''-malonylglucoside)
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C10020  Apigenin 7-(6''-malonylglucoside)
Other DBs
PubChem: 12206
ChEBI: 166640
KNApSAcK: C00004175
3DMET: B03464
NIKKAJI: J642.117B
KCF data

ATOM        37
            1   C8y C    27.7023  -16.2553
            2   C8y C    27.7084  -14.8609
            3   C8y C    28.8992  -16.9587
            4   C8y C    26.5053  -16.9524
            5   O2x O    28.9115  -14.1760
            6   C8x C    26.5053  -14.1699
            7   C8x C    30.1147  -16.2614
            8   O5x O    28.8931  -18.3531
            9   C8x C    25.2959  -16.2553
            10  O1a O    26.5053  -18.3470
            11  C8y C    30.1209  -14.8733
            12  C8y C    25.2959  -14.8609
            13  C8y C    31.3301  -14.1822
            14  O2a O    24.0928  -14.1636
            15  C8x C    32.5272  -14.8856
            16  C8x C    31.3301  -12.7939
            17  C1y C    22.6305  -14.9595
            18  C8x C    33.7366  -14.2007
            19  C8x C    32.5395  -12.1029
            20  O2x O    21.4274  -14.2685
            21  C1y C    22.6305  -16.3541
            22  C8y C    33.7426  -12.8063
            23  C1y C    20.2241  -14.9595
            24  C1y C    21.4274  -17.0512
            25  O1a O    23.8337  -17.0512
            26  O1a O    34.9520  -12.1090
            27  C1y C    20.2241  -16.3541
            28  C1b C    19.1752  -14.2193
            29  O1a O    21.4335  -18.4456
            30  O1a O    19.0149  -17.0512
            31  O7a O    17.8055  -14.9595
            32  C7a C    16.6024  -14.2685
            33  C1b C    15.3930  -14.9595
            34  O6a O    16.6024  -12.8741
            35  C6a C    14.1899  -14.2685
            36  O6a O    14.1899  -12.8741
            37  O6a O    12.9867  -14.9595
BOND        40
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 2
            15   13  16 1
            16   17  14 1 #Up
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   20  23 1
            23   21  24 1
            24   21  25 1 #Down
            25   22  26 1
            26   23  27 1
            27   23  28 1 #Up
            28   24  29 1 #Up
            29   27  30 1 #Down
            30   28  31 1
            31   31  32 1
            32   32  33 1
            33   32  34 2
            34   33  35 1
            35   35  36 1
            36   35  37 2
            37    7  11 2
            38    9  12 1
            39   19  22 1
            40   24  27 1

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