KEGG   COMPOUND: C12140Help
Entry
C12140                      Compound                               

Name
Malvidin 3-O-glucoside;
Enin;
Malvidin-3-glucoside
Formula
C23H25O12
Exact mass
493.1346
Mol weight
493.4374
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Anthocyanin biosynthesis
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C12140  Malvidin 3-O-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C12140  Malvidin 3-O-glucoside
BRITE hierarchy
Other DBs
CAS: 
18470-06-9
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   O2a O    26.9618  -34.7072
            2   C1y C    28.2717  -35.4757
            3   O2x O    28.2717  -36.8670
            4   C1y C    29.4827  -34.7771
            5   C1y C    29.4827  -37.5656
            6   C1y C    30.6818  -35.4757
            7   O1a O    29.4827  -33.5258
            8   C1y C    30.6818  -36.8670
            9   C1b C    29.4827  -38.9570
            10  O1a O    31.8927  -34.7771
            11  O1a O    31.8927  -37.5598
            12  O1a O    28.2776  -39.6556
            13  C8y C    26.9805  -31.9109
            14  C8y C    25.7638  -32.6038
            15  C8x C    28.1854  -32.6154
            16  C8x C    26.9805  -30.5196
            17  O2x O    24.5528  -31.9052 #+
            18  C8y C    25.7579  -34.0067
            19  C8y C    29.4021  -31.9285
            20  C8y C    28.1971  -29.8210
            21  C8y C    23.3361  -32.5921
            22  C8x C    24.5411  -34.7053
            23  C8y C    29.4080  -30.5255
            24  O2a O    30.6072  -32.6271
            25  O2a O    28.2030  -28.4181
            26  C8y C    23.3303  -33.9951
            27  C8x C    22.1310  -31.8993
            28  O1a O    30.6189  -29.8269
            29  C1a C    31.8239  -31.9401
            30  C1a C    26.9921  -27.7195
            31  C8y C    22.1310  -34.6996
            32  C8y C    20.9202  -32.5921
            33  C8x C    20.9202  -33.9951
            34  O1a O    22.1310  -36.0968
            35  O1a O    19.7034  -31.8993
BOND        38
            1     4   7 1 #Down
            2     5   8 1
            3     5   9 1 #Up
            4     6  10 1 #Up
            5     8  11 1 #Down
            6     9  12 1
            7     6   8 1
            8     2   1 1 #Up
            9     2   3 1
            10    2   4 1
            11    3   5 1
            12    4   6 1
            13   13  14 1
            14   13  15 2
            15   13  16 1
            16   14  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 2
            22   19  23 2
            23   19  24 1
            24   20  25 1
            25   21  26 2
            26   21  27 1
            27   23  28 1
            28   24  29 1
            29   25  30 1
            30   26  31 1
            31   27  32 2
            32   31  33 2
            33   31  34 1
            34   32  35 1
            35   20  23 1
            36   22  26 1
            37   32  33 1
            38   18   1 1

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