KEGG   COMPOUND: C04024
Entry
C04024                      Compound                               

Name
Vitexin 2''-O-beta-D-glucoside;
Flavosativaside;
2''-O-Glucosylvitexin
Formula
C27H30O15
Exact mass
594.1585
Mol weight
594.5181
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C04024  Vitexin 2''-O-beta-D-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C04024  Vitexin 2''-O-beta-D-glucoside
Glycosides [BR:br08021]
 C-glycosides
  C04024  Vitexin 2''-O-beta-D-glucoside
Other DBs
CAS: 61360-94-9
PubChem: 6730
ChEBI: 16631
KNApSAcK: C00006392
NIKKAJI: J2.201.333E
LinkDB
KCF data

ATOM        42
            1   C1y C    23.3245  -14.9121
            2   C1y C    22.1103  -14.2142
            3   C1y C    22.1086  -12.8138
            4   C1y C    23.3204  -12.1121
            5   C1y C    24.5341  -12.8108
            6   O2x O    24.4660  -14.2112
            7   C1b C    25.7461  -12.1091
            8   O1a O    25.7442  -10.7087
            9   O1a O    23.3187  -10.7117
            10  O1a O    20.8949  -12.1152
            11  O2a O    20.8987  -14.9165
            12  C8y C    23.3327  -16.3125
            13  C8y C    22.1161  -17.0127
            14  C8x C    22.1161  -18.4131
            15  C8y C    23.3318  -19.1133
            16  C8y C    24.5404  -17.0127
            17  C8y C    24.6045  -18.4131
            18  C8y C    25.7442  -19.1184
            19  C8x C    26.9600  -18.4234
            20  C8y C    26.9659  -17.0230
            21  O2x O    25.7561  -16.3177
            22  C8y C    28.1816  -16.3281
            23  C8x C    29.3878  -17.0366
            24  C8x C    30.6035  -16.3417
            25  C8y C    30.6095  -14.9413
            26  C8x C    29.3997  -14.2360
            27  C8x C    28.1840  -14.9309
            28  O5x O    25.7383  -20.5188
            29  O1a O    23.3350  -20.5137
            30  O1a O    20.9036  -16.3118
            31  O1a O    31.8252  -14.2463
            32  C1y C    19.6848  -14.2183
            33  O2x O    19.6845  -12.8249
            34  C1y C    18.4705  -12.1267
            35  C1y C    17.2590  -12.8289
            36  C1y C    17.2612  -14.2293
            37  C1y C    18.4751  -14.9275
            38  C1b C    18.4683  -10.7263
            39  O1a O    17.2544  -10.0281
            40  O1a O    16.0450  -12.1306
            41  O1a O    16.0496  -14.9314
            42  O1a O    18.4810  -16.3279
BOND        46
            1    19  20 2
            2    20  21 1
            3    21  16 1
            4     3  10 1 #Up
            5    20  22 1
            6     3   4 1
            7     2  11 1 #Down
            8     4   5 1
            9     5   6 1
            10    6   1 1
            11   22  23 2
            12   23  24 1
            13   24  25 2
            14   25  26 1
            15   26  27 2
            16   27  22 1
            17    1  12 1 #Up
            18   18  28 2
            19   13  14 2
            20   15  29 1
            21   14  15 1
            22   13  30 1
            23   15  17 2
            24   25  31 1
            25   16  12 2
            26   32  11 1 #Up
            27   12  13 1
            28    5   7 1 #Up
            29    7   8 1
            30    1   2 1
            31   32  33 1
            32   33  34 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   37  32 1
            37    4   9 1 #Down
            38   34  38 1 #Up
            39    2   3 1
            40   38  39 1
            41   16  17 1
            42   35  40 1 #Down
            43   17  18 1
            44   36  41 1 #Up
            45   18  19 1
            46   37  42 1 #Down

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