KEGG   COMPOUND: C10062
Entry
C10062                      Compound                               
Name
Gambogic acid
Formula
C38H44O8
Exact mass
628.3036
Mol weight
628.7512
Structure
Other DBs
CAS: 2752-65-0
PubChem: 12248
ChEBI: 67521
KNApSAcK: C00002950
3DMET: B05413
NIKKAJI: J146.463I
LinkDB
KCF data

ATOM        46
            1   O6a O    33.4982  -17.1112
            2   C6a C    34.6912  -16.4912
            3   C2c C    35.8914  -17.1812
            4   C1a C    37.0846  -16.4912
            5   C2b C    35.8914  -18.5609
            6   O6a O    34.6912  -15.1115
            7   C1b C    34.8322  -19.5255
            8   C1z C    33.5756  -19.5184
            9   C1z C    32.2488  -20.4827
            10  C2y C    32.2371  -21.8867
            11  C1y C    33.5945  -20.8368
            12  O2x O    31.0544  -19.7835
            13  C5x C    34.9023  -20.4977
            14  O2x O    32.6737  -18.0594
            15  C5x C    31.0311  -22.5802
            16  C2x C    33.4362  -22.6035
            17  C1z C    32.4603  -19.2483
            18  C1x C    33.2963  -21.5360
            19  C8y C    29.8298  -20.4710
            20  C1y C    34.6596  -21.9101
            21  O5x O    36.1588  -20.4999
            22  C8y C    29.8181  -21.8634
            23  O5x O    31.0194  -23.9785
            24  C1a C    31.4102  -18.4775
            25  C1a C    34.0022  -18.2639
            26  C8y C    28.6178  -19.7661
            27  C8y C    28.6062  -22.5685
            28  C8y C    27.3371  -20.4594
            29  C1b C    28.6062  -18.3619
            30  C8y C    27.4013  -21.8577
            31  O1a O    28.6004  -23.9726
            32  O2x O    26.1953  -19.7602
            33  C2b C    27.4071  -17.6628
            34  C2x C    26.1953  -22.5626
            35  C1z C    24.9766  -20.4594
            36  C2c C    27.4071  -16.2704
            37  C2x C    24.9766  -21.8577
            38  C1b C    23.7646  -19.7602
            39  C1a C    23.7589  -21.1526
            40  C1a C    26.1894  -15.5712
            41  C1a C    28.6062  -15.5712
            42  C1b C    22.5539  -20.4535
            43  C2b C    21.3478  -19.7545
            44  C2c C    20.1232  -20.4535
            45  C1a C    18.9254  -19.7545
            46  C1a C    20.1232  -21.8518
BOND        51
            1     3   4 1
            2     8   7 1
            3     3   5 2
            4     2   3 1
            5     2   6 2
            6     1   2 1
            7     5   7 1
            8     9   8 1 #Down
            9     9  10 1
            10    9  11 1 #Up
            11    9  12 1
            12    8  13 1
            13    8  14 1
            14   10  15 1
            15   10  16 2
            16   11  17 1
            17   11  18 1
            18   12  19 1
            19   20  13 1 #Down
            20   13  21 2
            21   15  22 1
            22   15  23 2
            23   17  24 1
            24   17  25 1
            25   19  26 1
            26   22  27 1
            27   26  28 2
            28   26  29 1
            29   27  30 2
            30   27  31 1
            31   28  32 1
            32   29  33 1
            33   30  34 1
            34   32  35 1
            35   33  36 2
            36   34  37 2
            37   35  38 1 #Up
            38   35  39 1 #Down
            39   36  40 1
            40   36  41 1
            41   38  42 1
            42   42  43 1
            43   43  44 2
            44   44  45 1
            45   44  46 1
            46   14  17 1
            47   16  20 1
            48   20  18 1 #Up
            49   19  22 2
            50   28  30 1
            51   35  37 1

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