KEGG   COMPOUND: C08647
Entry
C08647                      Compound                               

Name
Cyanidin 3-O-galactoside;
Cyanidin 3-O-beta-D-galactoside
Formula
C21H21O11
Exact mass
449.1084
Mol weight
449.3848
Structure
Reaction
Enzyme
2.4.1.294       2.4.2.50
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C08647  Cyanidin 3-O-galactoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C08647  Cyanidin 3-O-galactoside
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated cyanidin
    C08647  Cyanidin 3-O-galactoside
Other DBs
CAS: 27661-36-5
PubChem: 10840
ChEBI: 27475
ChEMBL: CHEMBL1197952 CHEMBL3139872
KNApSAcK: C00006652
3DMET: B02298
NIKKAJI: J243.811I
KCF data

ATOM        32
            1   C8y C    28.7994  -14.7878
            2   C8y C    28.7994  -16.1874
            3   C8y C    30.0067  -14.0879
            4   O2x O    27.5921  -14.0879 #+
            5   O2a O    30.2049  -17.0157
            6   C8x C    27.5921  -16.8756
            7   C8x C    31.2140  -14.7878
            8   C8x C    30.0008  -12.6882
            9   C8y C    26.3790  -14.7878
            10  C1y C    31.4065  -17.7213
            11  C8y C    26.3790  -16.1874
            12  C8y C    32.4213  -14.0879
            13  C8x C    31.2140  -11.9940
            14  C8x C    25.1717  -14.0879
            15  O2x O    31.4005  -19.1094
            16  C1y C    32.6078  -17.0274
            17  C8y C    25.1717  -16.8816
            18  C8y C    32.4213  -12.6882
            19  O1a O    33.6343  -14.7819
            20  C8y C    23.9644  -14.7878
            21  C1y C    32.5962  -19.8036
            22  C1y C    33.8094  -17.7330
            23  O1a O    32.6195  -15.6392
            24  C8x C    23.9644  -16.1874
            25  O1a O    25.1717  -18.2697
            26  O1a O    33.6286  -11.9940
            27  O1a O    22.7571  -14.0937
            28  C1y C    33.7977  -19.1211
            29  C1b C    32.5845  -21.1917
            30  O1a O    35.0224  -17.0448
            31  O1a O    35.0050  -19.8210
            32  O1a O    31.3831  -21.8799
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9    10   5 1 #Up
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   11  17 1
            17   12  18 2
            18   12  19 1
            19   14  20 2
            20   15  21 1
            21   16  22 1
            22   16  23 1 #Down
            23   17  24 2
            24   17  25 1
            25   18  26 1
            26   20  27 1
            27   21  28 1
            28   21  29 1 #Up
            29   22  30 1 #Up
            30   28  31 1 #Up
            31   29  32 1
            32    9  11 2
            33   13  18 1
            34   20  24 1
            35   22  28 1

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