KEGG   COMPOUND: C12647Help
Entry
C12647                      Compound                               

Name
Salvianin
Formula
C42H41O24
Exact mass
929.1988
Mol weight
929.7605
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Anthocyanin biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C12647  Salvianin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C12647  Salvianin
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

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

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