KEGG   COMPOUND: C08612
Entry
C08612                      Compound                               
Name
Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside);
Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)
Formula
C32H39O20
Exact mass
743.2035
Mol weight
743.6401
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C08612  Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated cyanidin
    C08612  Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)
Other DBs
CAS: 60029-67-6
PubChem: 10805
ChEBI: 27898
LIPIDMAPS: LMPK12010099
3DMET: B02266
NIKKAJI: J2.766.313C
KCF data

ATOM        52
            1   C8y C    23.6427  -12.7196
            2   C8y C    23.6367  -14.1184
            3   C8y C    24.8540  -12.0473
            4   O2x O    22.4497  -12.0352 #+
            5   O2a O    24.7268  -14.8754
            6   C8x C    22.4376  -14.8209
            7   C8x C    24.8540  -10.6544
            8   C8x C    26.0591  -12.7377
            9   C8y C    21.2445  -12.7134
            10  C1y C    24.7328  -16.2138
            11  C8y C    21.2386  -14.1063
            12  C8y C    26.0651   -9.9519
            13  C8x C    27.2642  -12.0533
            14  C8x C    20.0273  -12.0292
            15  C1y C    25.9258  -16.9042
            16  O2x O    23.5276  -16.9042
            17  C8y C    20.0273  -14.8149
            18  C8y C    27.2002  -10.6604
            19  O1a O    26.0712   -8.5954
            20  C8y C    18.8160  -12.7134
            21  O2a O    27.1309  -16.2138
            22  C1y C    25.9258  -18.2849
            23  C1y C    23.5276  -18.2849
            24  C8x C    18.8160  -14.1063
            25  O1a O    20.0273  -16.2078
            26  O1a O    28.4753   -9.9641
            27  O1a O    17.5928  -12.0292
            28  C1y C    28.5722  -15.3418
            29  C1y C    24.7328  -18.9874
            30  O1a O    27.1249  -18.9874
            31  C1b C    22.3225  -18.9874
            32  C1y C    28.5722  -13.9549
            33  O2x O    29.7835  -16.0260
            34  O1a O    24.7328  -20.3681
            35  O2a O    22.3285  -20.4349
            36  C1y C    29.7835  -13.2524
            37  O1a O    27.3733  -13.2524
            38  C1x C    30.9825  -15.3418
            39  C1y C    22.3589  -22.2275
            40  C1y C    30.9825  -13.9549
            41  O1a O    29.7835  -11.8596
            42  O2x O    21.1659  -22.9238
            43  C1y C    23.5579  -22.9238
            44  O1a O    32.1876  -13.2524
            45  C1y C    21.1659  -24.3167
            46  C1y C    23.5579  -24.3167
            47  O1a O    24.7510  -22.2334
            48  C1y C    22.3589  -25.0071
            49  C1b C    19.9729  -25.0071
            50  O1a O    24.7510  -25.0071
            51  O1a O    22.3589  -26.3818
            52  O1a O    18.7556  -24.3167
BOND        57
            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     3   8 2
            8     4   9 1
            9    10   5 1 #Up
            10    6  11 1
            11    7  12 2
            12    8  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   11  17 1
            17   12  18 1
            18   12  19 1
            19   14  20 2
            20   15  21 1 #Down
            21   15  22 1
            22   16  23 1
            23   17  24 2
            24   17  25 1
            25   18  26 1
            26   20  27 1
            27   28  21 1 #Up
            28   22  29 1
            29   22  30 1 #Up
            30   23  31 1 #Up
            31   28  32 1
            32   28  33 1
            33   29  34 1 #Up
            34   31  35 1
            35   32  36 1
            36   32  37 1 #Down
            37   33  38 1
            38   39  35 1 #Up
            39   36  40 1
            40   36  41 1 #Up
            41   39  42 1
            42   39  43 1
            43   40  44 1 #Down
            44   42  45 1
            45   43  46 1
            46   43  47 1 #Down
            47   45  48 1
            48   45  49 1 #Up
            49   46  50 1 #Up
            50   48  51 1 #Down
            51   49  52 1
            52    9  11 2
            53   13  18 2
            54   20  24 1
            55   23  29 1
            56   38  40 1
            57   46  48 1

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