KEGG   COMPOUND: C12629
Entry
C12629                      Compound                               

Name
Isoswertisin 2''-rhamnoside;
7-O-Methylvitexin 2''-O-beta-L-rhamnoside;
2''-O-Rhamnosylisoswertisin
Formula
C28H32O14
Exact mass
592.1792
Mol weight
592.5453
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C12629  7-O-Methylvitexin 2''-O-beta-L-rhamnoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C12629  Isoswertisin 2''-rhamnoside
Glycosides [BR:br08021]
 C-glycosides
  C12629  Isoswertisin 2''-rhamnoside
Other DBs
CAS: 64821-00-7
PubChem: 583019
ChEBI: 31143
KNApSAcK: C00006278
NIKKAJI: J2.398.940I
LinkDB
KCF data

ATOM        42
            1   C1y C    27.0447  -27.6678
            2   C1y C    25.8306  -26.9702
            3   C1y C    25.8287  -25.5698
            4   C1y C    27.0407  -24.8682
            5   C1y C    28.2543  -25.5668
            6   O2x O    28.2560  -26.9671
            7   C1b C    29.4660  -24.8651
            8   O1a O    29.4643  -23.4648
            9   O1a O    27.0388  -23.4678
            10  O1a O    24.6151  -24.8712
            11  O2a O    24.6190  -27.6722
            12  C1y C    23.4051  -26.9741
            13  C1y C    22.2027  -27.6778
            14  C1y C    20.9887  -26.9797
            15  C1y C    20.9865  -25.5793
            16  C1y C    22.1981  -24.8772
            17  O2x O    23.4119  -25.5753
            18  C1a C    22.1957  -23.4768
            19  O1a O    19.7726  -24.8811
            20  O1a O    19.7771  -27.6817
            21  O1a O    22.2078  -29.0781
            22  C8y C    27.0527  -29.0681
            23  C8y C    25.8362  -29.7754
            24  C8x C    25.8362  -31.1757
            25  C8y C    27.0519  -31.8759
            26  C8y C    28.2604  -29.7754
            27  C8y C    28.2544  -31.1757
            28  C8y C    29.4641  -31.8810
            29  C8x C    30.6798  -31.1861
            30  C8y C    30.6859  -29.7857
            31  O2x O    29.4762  -29.0805
            32  C8y C    31.9016  -29.0908
            33  C8x C    33.1075  -29.7993
            34  C8x C    34.3232  -29.1044
            35  C8y C    34.3293  -27.7041
            36  C8x C    33.1196  -26.9989
            37  C8x C    31.9038  -27.6938
            38  O5x O    29.4582  -33.2813
            39  O1a O    26.9853  -33.2762
            40  O2a O    24.6240  -29.0746
            41  O1a O    35.5449  -27.0092
            42  C1a C    23.4109  -29.7742
BOND        46
            1     3  10 1 #Up
            2    13  21 1 #Down
            3     4   5 1
            4     1  22 1 #Up
            5     2  11 1 #Down
            6     5   6 1
            7    12  11 1 #Up
            8    23  24 2
            9    24  25 1
            10   25  27 2
            11   26  22 2
            12   22  23 1
            13    6   1 1
            14    5   7 1 #Up
            15    1   2 1
            16    7   8 1
            17   12  13 1
            18   26  27 1
            19   27  28 1
            20   28  29 1
            21   29  30 2
            22   30  31 1
            23   31  26 1
            24   13  14 1
            25   30  32 1
            26   14  15 1
            27   15  16 1
            28   16  17 1
            29   17  12 1
            30    2   3 1
            31   32  33 2
            32   33  34 1
            33   34  35 2
            34   35  36 1
            35   36  37 2
            36   37  32 1
            37   16  18 1 #Down
            38   28  38 2
            39    4   9 1 #Down
            40   25  39 1
            41   15  19 1 #Up
            42   23  40 1
            43    3   4 1
            44   35  41 1
            45   14  20 1 #Down
            46   40  42 1

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