KEGG   COMPOUND: C12634
Entry
C12634                      Compound                               

Name
Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside;
Kaempferol 3-O-beta-D-sophoroside;
Sophoraflavonoloside
Formula
C27H30O16
Exact mass
610.1534
Mol weight
610.5175
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
2.4.1.239       2.4.1.240
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C12634  Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Other DBs
CAS: 19895-95-5
PubChem: 583024
ChEBI: 31743
ChEMBL: CHEMBL2032411
KNApSAcK: C00005165
3DMET: B04543
NIKKAJI: J94.447E
LinkDB
KCF data

ATOM        43
            1   O2x O    21.3715  -18.5336
            2   C1y C    21.3715  -19.9340
            3   C1y C    22.5872  -20.6342
            4   C1y C    23.7958  -19.9340
            5   C1y C    23.7958  -18.5336
            6   C1y C    22.5872  -17.8333
            7   O2a O    22.5889  -16.4329
            8   C1b C    20.1589  -20.6349
            9   O1a O    25.0092  -20.6333
            10  O2a O    25.0092  -17.8342
            11  O1a O    22.5889  -22.0346
            12  C1y C    26.2213  -18.5354
            13  O2x O    26.2847  -19.9338
            14  C1y C    27.4270  -20.6349
            15  C1y C    28.6404  -19.9357
            16  C1y C    28.6414  -18.5353
            17  C1y C    27.4291  -17.8340
            18  C1b C    27.4260  -22.0353
            19  O1a O    26.2127  -22.7346
            20  O1a O    29.8526  -20.6367
            21  O1a O    29.8548  -17.8359
            22  O1a O    27.4279  -16.4336
            23  O1a O    20.1596  -22.0353
            24  C8y C    16.5352  -14.3168
            25  C8x C    16.5352  -15.7173
            26  C8y C    17.7509  -16.4175
            27  C8x C    17.7509  -13.6166
            28  C8y C    18.9595  -14.3168
            29  C8y C    18.9536  -15.7173
            30  C8y C    20.1634  -16.4226
            31  C8y C    21.4491  -15.7276
            32  C8y C    21.3850  -14.3272
            33  O2x O    20.1752  -13.6217
            34  C8y C    22.6008  -13.6321
            35  O5x O    20.1574  -17.8230
            36  O1a O    15.3227  -13.6160
            37  O1a O    17.7541  -17.8179
            38  C8x C    23.8070  -14.3408
            39  C8x C    25.0927  -13.6458
            40  C8y C    25.0287  -12.2454
            41  C8x C    23.8189  -11.5399
            42  C8x C    22.6031  -12.2351
            43  O1a O    26.2444  -11.5503
BOND        47
            1    16  21 1 #Up
            2     4   5 1
            3    17  22 1 #Down
            4     3  11 1 #Down
            5     8  23 1
            6     5   6 1
            7    12  10 1 #Up
            8     6   1 1
            9    24  25 2
            10   25  26 1
            11   26  29 2
            12   28  27 2
            13   27  24 1
            14    6   7 1 #Up
            15    1   2 1
            16    2   8 1 #Up
            17   12  13 1
            18   13  14 1
            19   14  15 1
            20   28  29 1
            21   29  30 1
            22   30  31 1
            23   31  32 2
            24   32  33 1
            25   33  28 1
            26   15  16 1
            27   32  34 1
            28   31   7 1
            29   16  17 1
            30   30  35 2
            31   17  12 1
            32   24  36 1
            33    2   3 1
            34   26  37 1
            35   14  18 1 #Up
            36    4   9 1 #Up
            37   18  19 1
            38    3   4 1
            39   15  20 1 #Down
            40   34  38 2
            41   38  39 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45   42  34 1
            46    5  10 1 #Down
            47   40  43 1

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