KEGG   COMPOUND: C16312Help
Entry
C16312                      Compound                               

Name
Delphin;
Delphinidin 3,5-diglucoside
Formula
C27H31O17
Exact mass
627.1561
Mol weight
627.5248
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
2.3.1.153       2.4.1.238       2.4.1.298       2.4.1.299
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16312  Delphin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16312  Delphin
BRITE hierarchy
Other DBs
PubChem: 47205620
ChEBI: 55455
KNApSAcK: C00037021
NIKKAJI: J238.030G
KCF data Show

ATOM        44
            1   C8y C    30.0300  -28.9100
            2   C8y C    30.0300  -27.5100
            3   C8x C    28.8176  -26.8100
            4   C8y C    27.6051  -27.5100
            5   C8x C    27.6051  -28.9100
            6   C8y C    28.8176  -29.6100
            7   C8x C    31.2424  -29.6100
            8   C8y C    32.4549  -28.9100
            9   C8y C    32.4549  -27.5100
            10  O2x O    31.2424  -26.8100 #+
            11  C8y C    33.6860  -26.7990
            12  C8x C    34.8912  -27.4947
            13  C8y C    36.1035  -26.7946
            14  C8y C    36.1035  -25.3946
            15  C8y C    34.8983  -24.6989
            16  C8x C    33.6859  -25.3990
            17  O1a O    34.8985  -23.3104
            18  O1a O    37.3214  -24.6912
            19  O1a O    37.3351  -27.5054
            20  O2a O    33.6860  -29.6210
            21  O2a O    28.8176  -31.0098
            22  O1a O    26.3740  -26.7990
            23  C1y C    27.6220  -31.7002
            24  O2x O    26.4348  -31.0148
            25  C1y C    25.2224  -31.7147
            26  C1y C    25.2223  -33.1147
            27  C1y C    26.4095  -33.8002
            28  C1y C    27.6219  -33.1002
            29  C1b C    23.9912  -31.0038
            30  O1a O    26.4096  -35.2099
            31  O1a O    23.9953  -33.8232
            32  O1a O    28.8596  -33.8150
            33  O1a O    22.7903  -31.6972
            34  C1y C    34.8984  -30.3210
            35  C1y C    34.8987  -31.7096
            36  C1y C    36.1113  -32.4094
            37  C1y C    37.3236  -31.7092
            38  C1y C    37.3233  -30.3206
            39  O2x O    36.1107  -29.6208
            40  C1b C    38.5301  -29.6234
            41  O1a O    36.1115  -33.8100
            42  O1a O    33.7099  -32.3966
            43  O1a O    38.5262  -32.4034
            44  O1a O    39.7143  -30.3068
BOND        48
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  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   15  17 1
            20   14  18 1
            21   13  19 1
            22    8  20 1
            23    6  21 1
            24    4  22 1
            25   23  21 1 #Up
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1
            32   25  29 1 #Up
            33   27  30 1 #Up
            34   26  31 1 #Down
            35   28  32 1 #Down
            36   29  33 1
            37   34  20 1 #Down
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   34  39 1
            44   38  40 1 #Down
            45   36  41 1 #Down
            46   35  42 1 #Up
            47   37  43 1 #Up
            48   40  44 1

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