COMPOUND: C12647


Entry
C12647                      Compound                               
Name
Salvianin
Formula
C42H41O24
Exact mass
929.1988
Mol weight
929.7605
Structure
Reaction
R06800
Pathway
map00942  Anthocyanin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.1.214
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C12647  Salvianin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C12647  Salvianin
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated pelargonidin
    C12647  Salvianin
Other DBs
PubChem: 583037
ChEBI: 32115
LIPIDMAPS: LMPK12010449
KNApSAcK: C00006778
3DMET: B04553
NIKKAJI: J493.647G
KCF data

ATOM        66
            1   C1b C    28.4588  -18.7251
            2   O7a O    27.2453  -19.4245
            3   C7a C    27.2320  -20.8219
            4   C2b C    26.0107  -21.5146
            5   O6a O    28.4399  -21.5376
            6   C2b C    25.9994  -22.9136
            7   C8y C    24.7792  -23.6011
            8   C8x C    23.5841  -22.8917
            9   C8x C    22.3639  -23.5793
            10  C8y C    22.3528  -24.9807
            11  C8y C    23.5617  -25.6947
            12  C8x C    24.7749  -25.0001
            13  O1a O    21.1324  -25.6752
            14  C1y C    20.1281  -16.6271
            15  O2x O    18.9174  -15.9290
            16  C1y C    17.7026  -16.6262
            17  C1y C    17.7026  -18.0277
            18  C1y C    18.9174  -18.7320
            19  C1y C    20.1320  -18.0277
            20  O1a O    21.3477  -18.7303
            21  O1a O    18.9174  -20.1336
            22  O7a O    16.4879  -18.7320
            23  C1b C    16.4879  -15.9290
            24  C8y C    24.8181  -12.4008
            25  C8y C    24.8121  -13.8066
            26  C8y C    26.0433  -11.7014
            27  O2x O    23.6115  -11.6897 #+
            28  O2a O    25.9208  -14.4490
            29  C8x C    23.5999  -14.5073
            30  C8x C    27.2627  -12.4066
            31  C8x C    26.0433  -10.2896
            32  C8y C    22.3864  -12.3892
            33  C1y C    27.2394  -15.2184
            34  C8y C    22.3805  -13.7950
            35  C8x C    28.4879  -11.7071
            36  C8x C    27.2686   -9.5831
            37  C8x C    21.1668  -11.6840
            38  O2x O    27.2394  -16.6185
            39  C1y C    28.4588  -14.5189
            40  C8y C    21.1668  -14.5015
            41  C8y C    28.4936  -10.2954
            42  C8y C    19.9475  -12.3892
            43  C1y C    28.4588  -17.3248
            44  C1y C    29.6665  -15.2184
            45  O1a O    28.4588  -13.1189
            46  C8x C    19.9475  -13.7950
            47  O1a O    29.7072   -9.5948
            48  O1a O    18.7340  -11.6956
            49  C1y C    29.6665  -16.6185
            50  O1a O    30.8859  -14.5189
            51  O1a O    30.8859  -17.3191
            52  O2a O    21.1684  -15.9031
            53  O7a O    15.2802  -16.6261
            54  O1a O    23.5522  -27.0890
            55  C7a C    14.0727  -15.9286
            56  C1b C    12.8649  -16.6257
            57  O6a O    14.0728  -14.5341
            58  C6a C    11.6574  -15.9283
            59  O6a O    10.4495  -16.6254
            60  O6a O    11.6576  -14.5338
            61  C7a C    15.1898  -19.6409
            62  O6a O    15.1898  -21.0353
            63  C1b C    13.9821  -18.9436
            64  C6a C    12.7744  -19.6409
            65  O6a O    11.5667  -18.9436
            66  O6a O    12.7744  -21.0353
BOND        71
            1    12   7 1
            2    30  35 1
            3    31  36 2
            4    32  37 1
            5    33  38 1
            6    33  39 1
            7    34  40 1
            8    35  41 2
            9    37  42 2
            10   38  43 1
            11   39  44 1
            12   39  45 1 #Down
            13   40  46 2
            14   41  47 1
            15   42  48 1
            16   43  49 1
            17   43   1 1 #Up
            18   44  50 1 #Up
            19   49  51 1 #Down
            20   32  34 2
            21   36  41 1
            22   42  46 1
            23   44  49 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   25  29 2
            29   26  30 2
            30   26  31 1
            31   27  32 1
            32   33  28 1 #Up
            33   29  34 1
            34   19  20 1 #Down
            35   40  52 1
            36   18  21 1 #Up
            37   17  22 1 #Down
            38   16  23 1 #Up
            39   14  15 1
            40   15  16 1
            41   16  17 1
            42   17  18 1
            43   18  19 1
            44   19  14 1
            45   14  52 1 #Up
            46   23  53 1
            47   11  54 1
            48   10  13 1
            49   53  55 1
            50    6   7 1
            51   55  56 1
            52    1   2 1
            53   55  57 2
            54    2   3 1
            55   56  58 1
            56    3   4 1
            57   58  59 2
            58    3   5 2
            59   58  60 1
            60    4   6 2
            61    7   8 2
            62    8   9 1
            63    9  10 2
            64   10  11 1
            65   11  12 2
            66   61  62 2
            67   61  63 1
            68   63  64 1
            69   64  65 2
            70   64  66 1
            71   22  61 1

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
Gene (2)   
   KEGG GENES (2)   
All databases (12)   

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