KEGG   COMPOUND: C21786
Entry
C21786                      Compound                               

Name
Oleuropein aglycone
Formula
C19H22O8
Exact mass
378.1315
Mol weight
378.3732
Structure
Reaction
Enzyme
Other DBs
CAS: 31773-95-2
PubChem: 354339129
KCF data

ATOM        27
            1   O1a O    15.5851  -17.2013
            2   C1y C    16.7881  -13.5922
            3   C2y C    16.7881  -15.0075
            4   C2y C    15.5851  -12.9552
            5   C1b C    17.9912  -12.9552
            6   C1y C    15.5851  -15.7152
            7   C2b C    17.9912  -15.7152
            8   C2x C    14.3820  -13.6629
            9   C7a C    15.5851  -11.5399
            10  C7a C    19.2650  -13.6629
            11  O2x O    14.3820  -15.0075
            12  O7a O    14.3112  -10.8322
            13  O6a O    16.7881  -10.8322
            14  O7a O    20.3973  -12.9552
            15  C1a C    13.1082  -11.5399
            16  C1b C    21.6004  -13.5922
            17  C1b C    22.8034  -12.8845
            18  C8y C    24.0065  -13.5922
            19  C8x C    25.2096  -12.8845
            20  C8x C    24.0065  -15.0075
            21  C8y C    26.4834  -13.5922
            22  C8x C    25.2096  -15.7152
            23  C8y C    26.4834  -15.0075
            24  O1a O    27.6865  -12.8845
            25  O1a O    27.6865  -15.7152
            26  C1a C    17.9912  -17.1306
            27  O6a O    19.2306  -15.0070
BOND        28
            1     2   3 1
            2     2   4 1
            3     2   5 1 #Up
            4     3   6 1
            5     3   7 2
            6     4   8 2
            7     4   9 1
            8     5  10 1
            9     6  11 1
            10    9  12 1
            11    9  13 2
            12   10  14 1
            13   12  15 1
            14   14  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 2
            18   18  20 1
            19   19  21 1
            20   20  22 2
            21   21  23 2
            22   21  24 1
            23   23  25 1
            24    8  11 1
            25   22  23 1
            26    6   1 1 #Down
            27    7  26 1
            28   10  27 2

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