KEGG   COMPOUND: C07608Help
Entry
C07608                      Compound                               

Name
Hyperforin
Formula
C35H52O4
Exact mass
536.3866
Mol weight
536.785
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 11079-53-1
PubChem: 9810
ChEBI: 5834
ChEMBL: CHEMBL1237210
KNApSAcK: C00034542
NIKKAJI: J15.315J
LinkDB All DBs
KCF data Show

ATOM        39
            1   C1z C    27.5041  -17.2956
            2   C1z C    28.4784  -18.2642
            3   C5x C    27.4984  -19.2267
            4   C2y C    26.1332  -17.2956
            5   C5a C    28.6884  -16.6014
            6   C1y C    28.4784  -19.6351
            7   C1b C    29.6627  -17.5698
            8   C1a C    29.6627  -18.9526
            9   C1z C    26.1332  -20.6094
            10  O5x O    26.3374  -18.7308
            11  C2y C    25.1589  -18.2642
            12  O1a O    26.1273  -15.9188
            13  C1c C    28.6884  -15.2305
            14  O5a O    30.0711  -16.6014
            15  C1x C    27.5041  -20.6094
            16  C1b C    29.6627  -20.3235
            17  C1b C    30.8528  -18.2525
            18  C5x C    25.1589  -19.6351
            19  C1b C    26.1273  -21.9803
            20  C1b C    23.9629  -17.5758
            21  C1a C    29.8727  -14.5305
            22  C1a C    27.4924  -14.5362
            23  C2b C    29.6568  -21.7003
            24  C2b C    32.0371  -17.5641
            25  O5x O    23.9629  -20.3177
            26  C2b C    25.1472  -22.9546
            27  C2b C    23.9513  -16.1989
            28  C2c C    30.8470  -22.3828
            29  C2c C    33.2330  -18.2466
            30  C2c C    25.1356  -24.3314
            31  C2c C    22.7553  -15.5105
            32  C1a C    30.8411  -23.7596
            33  C1a C    32.0313  -21.6944
            34  C1a C    34.4173  -17.5524
            35  C1a C    33.2213  -19.6176
            36  C1a C    23.9455  -25.0139
            37  C1a C    26.3315  -25.0198
            38  C1a C    22.7496  -14.1337
            39  C1a C    21.5653  -16.1930
BOND        40
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     9   3 1 #Up
            9     3  10 2
            10    4  11 2
            11    4  12 1
            12    5  13 1
            13    5  14 2
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1
            17    9  18 1
            18    9  19 1
            19   11  20 1
            20   13  21 1
            21   13  22 1
            22   16  23 1
            23   17  24 1
            24   18  25 2
            25   19  26 1
            26   20  27 1
            27   23  28 2
            28   24  29 2
            29   26  30 2
            30   27  31 2
            31   28  32 1
            32   28  33 1
            33   29  34 1
            34   29  35 1
            35   30  36 1
            36   30  37 1
            37   31  38 1
            38   31  39 1
            39    9  15 1
            40   11  18 1

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