KEGG   COMPOUND: C10492
Entry
C10492                      Compound                               
Name
Salvianolic acid A
Formula
C26H22O10
Exact mass
494.1213
Mol weight
494.4469
Structure
Other DBs
CAS: 96574-01-5
PubChem: 12675
ChEBI: 9017
KNApSAcK: C00002772
3DMET: B03897
NIKKAJI: J470.628E
LinkDB
KCF data

ATOM        36
            1   C8y C    23.8321  -21.2856
            2   C8y C    25.0442  -21.9907
            3   C2b C    23.8321  -19.8869
            4   C8y C    22.6140  -21.9907
            5   C8x C    25.0442  -23.3895
            6   C2b C    26.2506  -21.2914
            7   C2b C    22.6198  -19.1875
            8   C8y C    22.6140  -23.3895
            9   O1a O    21.4017  -21.2856
            10  C8x C    23.8321  -24.0888
            11  C2b C    27.4570  -21.9967
            12  C8y C    22.6198  -17.7771
            13  O1a O    21.4017  -24.0888
            14  C7a C    28.6634  -21.3030
            15  C8x C    21.4017  -17.0837
            16  C8x C    23.8321  -17.0661
            17  O7a O    29.8756  -22.0024
            18  O6a O    28.5992  -19.8986
            19  C8y C    21.3960  -15.6790
            20  C8x C    23.8262  -15.6674
            21  C1c C    29.8756  -23.4069
            22  C8y C    22.6081  -14.9739
            23  O1a O    20.1779  -14.9913
            24  C1b C    31.0820  -24.0946
            25  C6a C    28.6575  -24.0946
            26  O1a O    22.5965  -13.5752
            27  C8y C    32.2884  -23.4011
            28  O6a O    27.4513  -23.4011
            29  O6a O    28.6518  -25.4992
            30  C8x C    33.5007  -24.0946
            31  C8x C    32.2943  -22.0024
            32  C8y C    34.7128  -23.4011
            33  C8x C    33.5064  -21.2973
            34  C8y C    34.7187  -22.0024
            35  O1a O    35.9309  -24.1005
            36  O1a O    35.9309  -21.3030
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13   11  14 1
            14   12  15 2
            15   12  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   21  17 1 #Down
            21   19  22 2
            22   19  23 1
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   24  27 1
            27   25  28 1
            28   25  29 2
            29   27  30 1
            30   27  31 2
            31   30  32 2
            32   31  33 1
            33   32  34 1
            34   32  35 1
            35   34  36 1
            36    8  10 2
            37   20  22 1
            38   33  34 2

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