KEGG   COMPOUND: C12667
Entry
C12667                      Compound                               

Name
Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside;
Baimaside;
Quercetin 3-beta-D-sophoroside;
Quercetin 3-O-sophoroside;
QUOSP
Formula
C27H30O17
Exact mass
626.1483
Mol weight
626.5169
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
2.4.1.239       2.4.1.240
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C12667  Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C12667  Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C12667  Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Other DBs
CAS: 18609-17-1
PubChem: 583057
ChEBI: 32082
ChEMBL: CHEMBL3979974
KNApSAcK: C00005409
NIKKAJI: J343.429J
LinkDB
KCF data

ATOM        44
            1   O2x O    27.6156  -18.3271
            2   C1y C    27.6156  -19.7275
            3   C1y C    28.8313  -20.4277
            4   C1y C    30.0398  -19.7275
            5   C1y C    30.0398  -18.3271
            6   C1y C    28.8313  -17.6270
            7   O2a O    28.8332  -16.2266
            8   C1b C    26.4033  -20.4284
            9   O1a O    31.2531  -20.5668
            10  O2a O    31.2531  -17.6278
            11  O1a O    28.8332  -21.8280
            12  C1y C    32.4654  -18.3290
            13  O2x O    32.4588  -19.7273
            14  C1y C    33.6711  -20.4284
            15  C1y C    34.8842  -19.7292
            16  C1y C    34.8853  -18.3288
            17  C1y C    33.6731  -17.6276
            18  C1b C    33.6699  -21.8287
            19  O1a O    32.4568  -22.5281
            20  O1a O    36.0965  -20.4302
            21  O1a O    36.0986  -17.6295
            22  O1a O    33.6719  -16.2273
            23  O1a O    26.4040  -21.8287
            24  C8y C    27.6333  -14.1254
            25  C8y C    27.6275  -15.5242
            26  C8y C    28.8449  -13.4290
            27  O2x O    26.4217  -13.4172
            28  C8y C    26.4099  -16.2208
            29  C8x C    28.8508  -12.0300
            30  C8x C    30.0507  -14.1371
            31  C8y C    25.2043  -14.1137
            32  C8y C    25.1985  -15.5125
            33  O5x O    26.4042  -17.6197
            34  C8x C    30.0624  -11.3335
            35  C8y C    31.2681  -13.4407
            36  C8x C    23.9986  -13.4113
            37  C8y C    23.9986  -16.2149
            38  C8y C    31.2740  -12.0417
            39  C8y C    22.7811  -14.1137
            40  C8x C    22.7811  -15.5125
            41  O1a O    23.9986  -17.6139
            42  O1a O    32.4914  -11.3452
            43  O1a O    21.5695  -13.4113
            44  O1a O    32.4780  -14.1459
BOND        48
            1     5   6 1
            2    12  10 1 #Up
            3     6   1 1
            4     6   7 1 #Up
            5     1   2 1
            6     2   8 1 #Up
            7    12  13 1
            8    13  14 1
            9    14  15 1
            10   15  16 1
            11   16  17 1
            12   17  12 1
            13    2   3 1
            14   14  18 1 #Up
            15    4   9 1 #Up
            16   18  19 1
            17    3   4 1
            18   15  20 1 #Down
            19    5  10 1 #Down
            20   16  21 1 #Up
            21    4   5 1
            22   17  22 1 #Down
            23    3  11 1 #Down
            24    8  23 1
            25   24  25 2
            26   24  26 1
            27   24  27 1
            28   25  28 1
            29   25   7 1
            30   26  29 1
            31   26  30 2
            32   27  31 1
            33   28  32 1
            34   28  33 2
            35   29  34 2
            36   30  35 1
            37   31  36 2
            38   32  37 2
            39   34  38 1
            40   36  39 1
            41   37  40 1
            42   37  41 1
            43   38  42 1
            44   39  43 1
            45   31  32 1
            46   35  38 2
            47   39  40 2
            48   35  44 1

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