KEGG   COMPOUND: C12165
Entry
C12165                      Compound                               
Name
3-O-Acetylhamayne
Formula
C18H19NO5
Exact mass
329.1263
Mol weight
329.3472
Structure
Other DBs
PubChem: 14312
ChEBI: 31120
KNApSAcK: C00024354 C00024355
NIKKAJI: J688.391E
LinkDB
KCF data

ATOM        24
            1   C1z C    27.9258  -19.1851
            2   C8y C    26.7545  -19.8510
            3   C1y C    29.0792  -19.8689
            4   C1y C    29.0851  -18.5015
            5   C2x C    27.9376  -17.8415
            6   C8y C    26.7426  -21.1947
            7   C8x C    25.5891  -19.1732
            8   N1y N    29.0792  -21.2126
            9   C1x C    30.2505  -19.2089
            10  C1x C    30.2386  -20.5348
            11  C2x C    29.1089  -17.1875
            12  C8x C    25.5833  -21.8666
            13  C1x C    27.9078  -21.8785
            14  C8y C    24.4239  -19.8452
            15  C1y C    30.2682  -17.8653
            16  C8y C    24.4239  -21.1947
            17  O2x O    23.1456  -19.4289
            18  O7a O    31.4276  -17.1816
            19  O2x O    23.1456  -21.6050
            20  C1x C    22.3549  -20.5169
            21  C7a C    32.5992  -17.8439
            22  C1a C    33.7585  -17.1602
            23  O6a O    32.6116  -19.1896
            24  O1a O    31.0295  -18.5234
BOND        28
            1     1   5 1
            2     2   6 2
            3     2   7 1
            4     3   8 1
            5     3   9 1
            6     4  10 1
            7     5  11 2
            8     6  12 1
            9     6  13 1
            10    7  14 2
            11    9  15 1
            12   12  16 2
            13   14  17 1
            14   15  18 1 #Down
            15   16  19 1
            16   17  20 1
            17    8  10 1 #Down
            18    8  13 1
            19   11  15 1
            20   14  16 1
            21   19  20 1
            22    1   2 1
            23   18  21 1
            24    1   3 1
            25   21  22 1
            26    1   4 1 #Down
            27   21  23 2
            28    4  24 1 #Up

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