KEGG   COMPOUND: C08639Help
Entry
C08639                      Compound                               

Name
Cyanin;
Cyanidin 3,5-di-O-glucoside;
Cyanidin 3,5-O-diglucoside;
Cyanidin 3,5-di-O-beta-D-glucoside
Formula
C27H31O16
Exact mass
611.1612
Mol weight
611.5254
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Anthocyanin biosynthesis
Enzyme
2.3.1.153       2.3.1.215       2.4.1.298       2.4.1.299       
2.4.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C08639  Cyanin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C08639  Cyanin
BRITE hierarchy
Other DBs
CAS: 
20905-74-2
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        43
            1   C8y C    28.3292  -15.7867
            2   C8y C    28.3351  -14.3950
            3   C8y C    27.1296  -16.4856
            4   C8x C    29.5346  -16.4913
            5   O2x O    29.5463  -13.7020 #+
            6   C8x C    27.1296  -13.6962
            7   O2a O    27.1354  -17.8715
            8   C8x C    25.9242  -15.7867
            9   C8y C    30.7400  -15.7984
            10  C8y C    30.7459  -14.4067
            11  C8y C    25.9242  -14.3950
            12  C1y C    25.7263  -18.8556
            13  O2a O    31.8465  -16.4449
            14  C8y C    31.9571  -13.7136
            15  O1a O    24.7188  -13.6962
            16  O2x O    24.5209  -18.1627
            17  C1y C    25.7263  -20.2474
            18  C1y C    33.1509  -17.2134
            19  C8x C    33.1568  -14.4184
            20  C8x C    31.9571  -12.3219
            21  C1y C    23.3095  -18.8556
            22  C1y C    24.5209  -20.9462
            23  O1a O    26.9317  -20.9462
            24  O2x O    33.1335  -18.5994
            25  C1y C    34.3622  -16.5263
            26  C8y C    34.3680  -13.7253
            27  C8x C    33.1685  -11.6348
            28  C1y C    23.3095  -20.2474
            29  C1b C    22.1041  -18.1567
            30  O1a O    24.5209  -22.3379
            31  C1y C    34.3330  -19.3098
            32  C1y C    35.5618  -17.2367
            33  O1a O    34.3796  -15.1346
            34  C8y C    34.3739  -12.3336
            35  O1a O    35.5675  -14.4300
            36  O1a O    22.1041  -20.9462
            37  O1a O    20.8987  -18.8556
            38  C1y C    35.5444  -18.6343
            39  C1b C    34.3156  -20.7074
            40  O1a O    36.7788  -16.5555
            41  O1a O    35.5851  -11.6405
            42  O1a O    36.7439  -19.3448
            43  O1a O    33.0985  -21.3887
BOND        47
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 2
            10    6  11 2
            11   12   7 1 #Up
            12    9  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   18  13 1 #Up
            18   14  19 2
            19   14  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Down
            23   18  24 1
            24   18  25 1
            25   19  26 1
            26   20  27 2
            27   21  28 1
            28   21  29 1 #Up
            29   22  30 1 #Up
            30   24  31 1
            31   25  32 1
            32   25  33 1 #Down
            33   26  34 2
            34   26  35 1
            35   28  36 1 #Down
            36   29  37 1
            37   31  38 1
            38   31  39 1 #Up
            39   32  40 1 #Up
            40   34  41 1
            41   38  42 1 #Down
            42   39  43 1
            43    8  11 1
            44    9  10 1
            45   22  28 1
            46   27  34 1
            47   32  38 1

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