KEGG   COMPOUND: C09917
Entry
C09917                      Compound                               
Name
Arnebinol
Formula
C16H20O2
Exact mass
244.1463
Mol weight
244.3288
Structure
Other DBs
CAS: 87064-17-3
PubChem: 12103
ChEBI: 2827
KNApSAcK: C00002979
3DMET: B03376
NIKKAJI: J440.104B
LinkDB
KCF data

ATOM        18
            1   C8y C    27.3772  -20.6369
            2   C8x C    27.3899  -19.2250
            3   C8y C    26.1683  -21.3556
            4   C1x C    28.6029  -21.3468
            5   C8y C    26.1591  -18.5181
            6   C8x C    24.9475  -20.6539
            7   O1a O    26.1874  -22.7761
            8   C2x C    29.8313  -20.6505
            9   C8x C    24.9414  -19.2325
            10  O2x O    26.1690  -17.1013
            11  C2y C    29.8332  -19.2313
            12  C1x C    27.3996  -16.3968
            13  C1x C    31.0516  -18.5299
            14  C1a C    28.6205  -18.5208
            15  C2y C    28.6202  -17.1096
            16  C1x C    31.0594  -17.1211
            17  C2x C    29.8457  -16.4084
            18  C1a C    29.3991  -18.0470
BOND        19
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    8  11 2
            11   10  12 1
            12   11  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   15  17 2
            17   15  18 1
            18    6   9 2
            19   16  17 1

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