KEGG   COMPOUND: C05622
Entry
C05622                      Compound                               

Name
Malonylapiin;
Apigenin 7-O-[beta-D-apiosyl-(1->2)-(6-malonyl-beta-D-glucoside)]
Formula
C29H30O17
Exact mass
650.1483
Mol weight
650.5383
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C05622  Malonylapiin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C05622  Malonylapiin
Other DBs
PubChem: 7939
ChEBI: 6664
3DMET: B01877
NIKKAJI: J2.433.390F
LinkDB
KCF data

ATOM        46
            1   C8y C    29.7222  -31.5277
            2   C8y C    29.7398  -32.9317
            3   O2x O    30.9631  -30.8752
            4   C8x C    28.5454  -30.7819
            5   C8y C    30.8525  -33.6718
            6   C8y C    28.4464  -33.5842
            7   C8y C    32.1518  -31.6267
            8   C8y C    27.3044  -31.4461
            9   C8x C    32.1635  -33.0250
            10  O5x O    30.8701  -35.0758
            11  C8x C    27.3277  -32.8444
            12  O1a O    28.3997  -34.9825
            13  C8y C    33.4626  -30.9684
            14  O2a O    26.1157  -30.7003
            15  C8x C    33.4392  -29.5701
            16  C8x C    34.5812  -31.7140
            17  C1y C    24.9040  -29.9954
            18  C8x C    34.6802  -28.9117
            19  C8x C    35.8163  -31.0499
            20  C1y C    23.6863  -30.6886
            21  O2x O    24.9099  -28.5971
            22  C8y C    35.8629  -29.6516
            23  O2a O    23.6863  -32.0928
            24  C1y C    22.4803  -29.9895
            25  C1y C    23.6980  -27.8863
            26  O1a O    37.0982  -29.0050
            27  C1y C    22.3522  -32.5181
            28  C1y C    22.4803  -28.5854
            29  O1a O    21.2626  -30.6886
            30  C1b C    23.7039  -26.4880
            31  C1y C    21.9151  -33.8524
            32  O2x O    21.2102  -31.6966
            33  O1a O    21.2685  -27.8806
            34  O7a O    22.4919  -25.7831
            35  C1z C    20.5170  -33.8524
            36  O1a O    22.7366  -34.9884
            37  C1x C    20.0799  -32.5181
            38  C7a C    22.4919  -24.3907
            39  C1b C    19.6896  -34.9884
            40  O1a O    21.1519  -35.0991
            41  C1b C    21.2859  -23.6916
            42  O6a O    23.7039  -23.6973
            43  O1a O    18.2972  -34.8428
            44  C6a C    21.2918  -22.2990
            45  O6a O    22.4978  -21.6058
            46  O6a O    20.0858  -21.5999
BOND        50
            1     1   2 1
            2     1   3 1
            3     1   4 2
            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    6  12 1
            12    7  13 1
            13    8  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 #Down
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   27  23 1 #Up
            27   24  28 1
            28   24  29 1 #Up
            29   25  30 1 #Up
            30   27  31 1
            31   27  32 1
            32   28  33 1 #Down
            33   30  34 1
            34   31  35 1
            35   31  36 1 #Down
            36   32  37 1
            37   34  38 1
            38   35  39 1 #Up
            39   35  40 1 #Down
            40   38  41 1
            41   38  42 2
            42   39  43 1
            43   41  44 1
            44   44  45 1
            45   44  46 2
            46    7   9 2
            47    8  11 2
            48   19  22 1
            49   25  28 1
            50   35  37 1

» Japanese version

DBGET integrated database retrieval system