KEGG   COMPOUND: C16289
Entry
C16289                      Compound                               
Name
Cyanidin 3-O-3'',6''-O-dimalonylglucoside
Formula
C27H25O17
Exact mass
621.1092
Mol weight
621.4772
Structure
Reaction
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
2.3.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16289  Cyanidin 3-O-3'',6''-O-dimalonylglucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16289  Cyanidin 3-O-3'',6''-O-dimalonylglucoside
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated cyanidin
    C16289  Cyanidin 3-O-3'',6''-O-dimalonylglucoside
Other DBs
PubChem: 47205597
ChEBI: 80425
LIPIDMAPS: LMPK12010138
KNApSAcK: C00006799
NIKKAJI: J791.113K
LinkDB
KCF data

ATOM        44
            1   C8y C    33.4292  -24.4560
            2   C8x C    33.4292  -25.8583
            3   C8y C    34.6913  -26.5595
            4   C8y C    35.8833  -25.8583
            5   C8y C    35.8833  -24.4560
            6   C8x C    34.6913  -23.7548
            7   C8x C    37.0753  -26.5595
            8   C8y C    38.3374  -25.8583
            9   C8y C    38.3374  -24.4560
            10  O2x O    37.0753  -23.7548 #+
            11  C8y C    39.5294  -23.7548
            12  C8x C    40.7214  -24.3859
            13  C8y C    41.9134  -23.6847
            14  C8y C    41.9134  -22.2824
            15  C8x C    40.7214  -21.6513
            16  C8x C    39.5294  -22.3525
            17  O1a O    34.6913  -28.0320
            18  O1a O    32.2372  -23.7548
            19  O2a O    39.5294  -26.5595
            20  O1a O    43.1755  -21.5812
            21  O1a O    43.1054  -24.3859
            22  C1y C    40.7214  -27.2607
            23  C1y C    40.7214  -28.6631
            24  C1y C    41.9835  -29.3642
            25  C1y C    43.1755  -28.6631
            26  C1y C    43.1755  -27.2607
            27  O2x O    41.9835  -26.5595
            28  C1b C    44.3675  -26.5595
            29  O7a O    41.9835  -30.7666
            30  O1a O    39.5294  -29.3642
            31  O1a O    44.3675  -29.3642
            32  O7a O    45.5595  -27.2607
            33  C7a C    46.7515  -26.5595
            34  C1b C    48.0136  -27.2607
            35  C6a C    49.2056  -26.5595
            36  O6a O    50.4678  -27.2607
            37  O6a O    46.7515  -25.1572
            38  O6a O    49.2056  -25.1572
            39  C7a C    43.1755  -31.4678
            40  O6a O    44.3675  -30.7666
            41  C1b C    43.1755  -32.8701
            42  C6a C    44.3675  -33.5713
            43  O6a O    45.5595  -32.8701
            44  O6a O    44.3675  -34.9736
BOND        47
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    3  17 1
            20    1  18 1
            21    8  19 1
            22   14  20 1
            23   13  21 1
            24   22  19 1 #Down
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   26  28 1 #Down
            32   24  29 1 #Down
            33   23  30 1 #Up
            34   25  31 1 #Up
            35   28  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   33  37 2
            41   35  38 2
            42   29  39 1
            43   39  40 2
            44   39  41 1
            45   41  42 1
            46   42  43 2
            47   42  44 1

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