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
R07885
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
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

» Japanese version

  All links  
Pathway (1)   
   KEGG PATHWAY (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (1)   
   KEGG REACTION (1)   
Gene (1)   
   KEGG GENES (1)   
All databases (9)   

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