KEGG   COMPOUND: C12341
Entry
C12341                      Compound                               
Name
Dioncophyllinol B
Formula
C23H25NO4
Exact mass
379.1784
Mol weight
379.4489
Structure
Other DBs
PubChem: 582731
ChEBI: 31506
NIKKAJI: J1.343.681I
LinkDB
KCF data

ATOM        28
            1   C8x C    27.3863  -21.9732
            2   C8y C    27.3863  -20.5701
            3   C8y C    26.1701  -19.8626
            4   C8y C    28.5941  -19.8775
            5   C8y C    29.8043  -20.5788
            6   C8x C    29.8088  -17.7813
            7   C8x C    28.5264  -18.4788
            8   C8y C    31.0190  -18.4827
            9   C8y C    31.0160  -19.8780
            10  C1y C    32.2226  -20.5783
            11  N1x N    33.4325  -19.8835
            12  C1y C    33.4357  -18.4881
            13  C1y C    32.2289  -17.7879
            14  O1a O    29.8038  -21.9775
            15  C1a C    32.2196  -21.9770
            16  C1a C    34.6486  -17.7915
            17  O1a O    32.2321  -16.3892
            18  C8x C    26.1762  -22.6780
            19  O1a O    26.1688  -18.4639
            20  C8y C    24.9704  -21.9777
            21  C8y C    24.9599  -20.5701
            22  C8y C    23.7358  -19.8753
            23  C8x C    22.5221  -20.5881
            24  C8y C    22.5326  -21.9956
            25  C8x C    23.7567  -22.6904
            26  O2a O    23.7255  -18.4768
            27  C1a C    22.5090  -17.7862
            28  C1a C    21.3265  -22.7040
BOND        31
            1    12  13 1
            2    13   8 1
            3     5   9 1
            4     5  14 1
            5     8   6 1
            6    10  15 1 #Down
            7     6   7 2
            8    12  16 1 #Up
            9     7   4 1
            10   13  17 1 #Up
            11    2   4 1
            12   18  20 1
            13    3   2 2
            14    3  19 1
            15    1  18 2
            16    1   2 1
            17   21   3 1
            18    4   5 2
            19    8   9 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  20 2
            26    9  10 1
            27   22  26 1
            28   10  11 1
            29   26  27 1
            30   11  12 1
            31   24  28 1

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