KEGG   COMPOUND: C10399Help
Entry
C10399                      Compound                               

Name
Rapanone
Formula
C19H30O4
Exact mass
322.2144
Mol weight
322.4391
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 573-40-0
PubChem: 12585
ChEBI: 8779
ChEMBL: CHEMBL462801
KNApSAcK: C00002860
3DMET: B03812
NIKKAJI: J11.538J
KCF data Show

ATOM        23
            1   C2y C    21.9877  -18.8182
            2   C5x C    20.7731  -18.1235
            3   C2y C    21.9877  -20.2255
            4   C1b C    23.1847  -18.1235
            5   C2y C    19.5528  -18.8182
            6   O5x O    20.7731  -16.7162
            7   C5x C    20.7731  -20.9262
            8   O1a O    23.1962  -20.9262
            9   C1b C    24.3991  -18.8125
            10  C2x C    19.5528  -20.2255
            11  O1a O    18.3384  -18.1175
            12  O5x O    20.7731  -22.3333
            13  C1b C    25.6135  -18.1118
            14  C1b C    26.8281  -18.8065
            15  C1b C    28.0425  -18.1059
            16  C1b C    29.2571  -18.8008
            17  C1b C    30.4657  -18.1001
            18  C1b C    31.6801  -18.7891
            19  C1b C    32.8888  -18.0942
            20  C1b C    34.1032  -18.7832
            21  C1b C    35.3119  -18.0884
            22  C1b C    36.5265  -18.7774
            23  C1a C    37.7409  -18.0767
BOND        23
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    7  12 2
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    7  10 1

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