COMPOUND: C16288


Entry
C16288                      Compound                               
Name
Pelargonidin 3-O-3'',6''-O-dimalonylglucoside
Formula
C27H25O16
Exact mass
605.1143
Mol weight
605.4778
Structure
Reaction
R07884
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
2.3.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16288  Pelargonidin 3-O-3'',6''-O-dimalonylglucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16288  Pelargonidin 3-O-3'',6''-O-dimalonylglucoside
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated pelargonidin
    C16288  Pelargonidin 3-O-3'',6''-O-dimalonylglucoside
Other DBs
PubChem: 47205596
ChEBI: 80424
NIKKAJI: J2.799.375C
KCF data

ATOM        43
            1   C8y C    25.2700  -20.2300
            2   C8x C    25.2700  -21.6300
            3   C8y C    26.5300  -22.3300
            4   C8y C    27.7200  -21.6300
            5   C8y C    27.7200  -20.2300
            6   C8x C    26.5300  -19.5300
            7   C8x C    28.9100  -22.3300
            8   C8y C    30.1700  -21.6300
            9   C8y C    30.1700  -20.2300
            10  O2x O    28.9100  -19.5300 #+
            11  C8y C    31.3600  -19.5300
            12  C8x C    32.5500  -20.1600
            13  C8x C    33.7400  -19.4600
            14  C8y C    33.7400  -18.0600
            15  C8x C    32.5500  -17.4300
            16  C8x C    31.3600  -18.1300
            17  O1a O    26.5300  -23.7300
            18  O1a O    24.0800  -19.5300
            19  O2a O    31.3600  -22.3300
            20  O1a O    35.0000  -17.3600
            21  C1y C    32.5724  -23.0300
            22  C1y C    32.5724  -24.4298
            23  C1y C    33.7848  -25.1298
            24  C1y C    34.9973  -24.4299
            25  C1y C    34.9973  -23.0300
            26  O2x O    33.7848  -22.3300
            27  C1b C    36.2118  -22.3289
            28  O7a O    33.7848  -26.5298
            29  O1a O    31.3432  -25.1397
            30  O1a O    36.2118  -25.1311
            31  O7a O    37.4082  -23.0198
            32  C7a C    38.5924  -22.3300
            33  C1b C    39.8049  -23.0300
            34  C6a C    41.0173  -22.3300
            35  O6a O    42.2297  -23.0300
            36  O6a O    38.5897  -20.9301
            37  O6a O    41.0173  -20.9300
            38  C7a C    35.0161  -27.2408
            39  O6a O    36.2211  -26.5452
            40  C1b C    35.0159  -28.6299
            41  C6a C    36.2163  -29.3232
            42  O6a O    37.4061  -28.6364
            43  O6a O    36.2163  -30.7298
BOND        46
            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   21  19 1 #Down
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   25  27 1 #Down
            31   23  28 1 #Down
            32   22  29 1 #Up
            33   24  30 1 #Up
            34   27  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   32  36 2
            40   34  37 2
            41   28  38 1
            42   38  39 2
            43   38  40 1
            44   40  41 1
            45   41  42 2
            46   41  43 1

» Japanese version

  All links  
Pathway (1)   
   KEGG PATHWAY (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Chemical reaction (1)   
   KEGG REACTION (1)   
Gene (1)   
   KEGG GENES (1)   
All databases (6)   

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