KEGG   COMPOUND: C10224Help
Entry
C10224                      Compound                               

Name
Eugeniin;
Tellimagrandin II
Formula
C41H30O26
Exact mass
938.1025
Mol weight
938.6613
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Others
  Tannins and galloyl derivatives
   Ellagitannins
    C10224  Eugeniin
Major components of natural products [BR:br08323]
 Crude drugs
  Clove
   C10224  Eugeniin
  Clove oil
   C10224  Eugeniin
 Essential oils
  Clove oil
   C10224  Eugeniin
 Medicinal herbs
  Cloves
   C10224  Eugeniin
BRITE hierarchy
Other DBs
CAS: 58970-75-5
PubChem: 12410
ChEBI: 4916
ChEMBL: CHEMBL450745 CHEMBL510512
KNApSAcK: C00002920
3DMET: B03651
NIKKAJI: J304.363K
LinkDB All DBs
KCF data Show

ATOM        67
            1   C1y C    27.0152  -16.4379
            2   C1y C    28.2116  -15.7380
            3   C1y C    25.8448  -15.7380
            4   O7a O    27.0095  -17.7203
            5   C1y C    28.2116  -14.3765
            6   O7a O    29.3949  -16.4887
            7   C1y C    25.8448  -14.3765
            8   O7x O    23.6453  -16.8634
            9   C7a C    26.0169  -18.4556
            10  O2x O    27.0152  -13.7023
            11  O7a O    29.4008  -13.7023
            12  C7a C    29.3949  -17.8630
            13  C1x C    24.6719  -13.7023
            14  C7x C    23.6453  -18.3769
            15  C8y C    26.0505  -19.7583
            16  O6a O    24.8748  -17.8026
            17  C7a C    30.5853  -13.0154
            18  C8y C    30.5724  -18.5431
            19  O6a O    28.2174  -18.5431
            20  O7x O    23.6253  -14.5779
            21  C8y C    22.4607  -19.0568
            22  O6a O    24.7810  -19.0873
            23  C8x C    24.8030  -20.4617
            24  C8x C    27.1756  -20.4148
            25  C8y C    31.7559  -13.7083
            26  O6a O    30.5913  -11.6540
            27  C8x C    30.5724  -19.9220
            28  C8x C    31.7501  -17.8630
            29  C7x C    22.4408  -13.8908
            30  C8x C    22.4607  -20.4427
            31  C8y C    21.2845  -18.3769
            32  C8y C    24.8147  -21.8348
            33  C8y C    27.1349  -21.7938
            34  C8x C    31.7559  -15.0872
            35  C8x C    32.9581  -13.0212
            36  C8y C    31.7501  -20.6206
            37  C8y C    32.9523  -18.5431
            38  C8y C    21.2633  -14.5779
            39  O6a O    22.4408  -12.5236
            40  C8y C    21.2845  -21.1418
            41  C8y C    20.0823  -19.0568
            42  C8y C    26.0286  -22.5044
            43  O1a O    23.6429  -22.5395
            44  O1a O    28.4011  -22.4506
            45  C8y C    32.9581  -15.7790
            46  C8y C    34.1356  -13.7083
            47  C8y C    32.9523  -19.9220
            48  O1a O    31.7501  -21.9821
            49  O1a O    34.1298  -17.8572
            50  C8y C    21.2633  -15.9580
            51  C8x C    20.0857  -13.8908
            52  C8y C    20.0823  -20.4427
            53  O1a O    21.2903  -22.5088
            54  O1a O    18.9048  -18.3769
            55  O1a O    26.0680  -24.0835
            56  C8y C    34.1822  -15.0392
            57  O1a O    32.9581  -17.1472
            58  O1a O    35.3202  -13.0212
            59  O1a O    34.1356  -20.6032
            60  C8y C    20.0857  -16.6558
            61  C8y C    18.8907  -14.5779
            62  O1a O    18.9048  -21.1242
            63  O1a O    35.3260  -15.7556
            64  C8y C    18.8907  -15.9580
            65  O1a O    20.0857  -18.0169
            66  O1a O    17.7061  -13.8850
            67  O1a O    17.7003  -16.6381
BOND        73
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1 #Up
            13    8  14 1
            14    9  15 1
            15    9  16 2
            16   11  17 1
            17   12  18 1
            18   12  19 2
            19   13  20 1
            20   14  21 1
            21   14  22 2
            22   15  23 1
            23   15  24 2
            24   17  25 1
            25   17  26 2
            26   18  27 1
            27   18  28 2
            28   20  29 1
            29   21  30 1
            30   21  31 2
            31   23  32 2
            32   24  33 1
            33   25  34 2
            34   25  35 1
            35   27  36 2
            36   28  37 1
            37   29  38 1
            38   29  39 2
            39   30  40 2
            40   31  41 1
            41   32  42 1
            42   32  43 1
            43   33  44 1
            44   34  45 1
            45   35  46 2
            46   36  47 1
            47   36  48 1
            48   37  49 1
            49   38  50 1
            50   38  51 2
            51   40  52 1
            52   40  53 1
            53   41  54 1
            54   42  55 1
            55   45  56 2
            56   45  57 1
            57   46  58 1
            58   47  59 1
            59   50  60 2
            60   51  61 1
            61   52  62 1
            62   56  63 1
            63   60  64 1
            64   60  65 1
            65   61  66 1
            66   64  67 1
            67    7  10 1
            68   33  42 2
            69   37  47 2
            70   41  52 2
            71   46  56 1
            72   61  64 2
            73   50  31 1

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