KEGG   COMPOUND: C10589
Entry
C10589                      Compound                               
Name
Decaline;
Decalin
Formula
C26H31NO5
Exact mass
437.2202
Mol weight
437.528
Structure
Other DBs
CAS: 14727-56-1
PubChem: 12772
ChEBI: 4345
KNApSAcK: C00002334
3DMET: B03981
LinkDB
KCF data

ATOM        32
            1   C8y C    29.1021  -20.4745
            2   C1y C    28.7523  -19.1452
            3   C8y C    28.4317  -21.6757
            4   C8x C    30.5131  -20.4104
            5   N1y N    29.9418  -18.4688
            6   C1x C    27.5746  -18.4455
            7   C8x C    29.1371  -22.8710
            8   O2x O    27.0614  -21.6757
            9   C8y C    31.2012  -21.6698
            10  C1y C    29.9592  -17.1103
            11  C1x C    31.1021  -19.1627
            12  C1y C    27.5920  -17.0811
            13  C8y C    30.5131  -22.8710
            14  C8y C    26.3734  -20.4921
            15  O2a O    32.5713  -21.7341
            16  C1x C    28.7873  -16.4164
            17  C1x C    31.1428  -16.4514
            18  C1x C    32.3674  -18.5038
            19  O7x O    25.1957  -17.0461
            20  O2a O    31.2012  -24.0546
            21  C8x C    25.1897  -21.1859
            22  C8x C    26.3850  -19.1218
            23  C1a C    33.2652  -22.8593
            24  C1x C    32.3090  -17.1453
            25  C7x C    24.0004  -16.3581
            26  C1a C    32.5713  -24.0487
            27  C8x C    23.9945  -20.4921
            28  C8x C    25.1957  -18.4281
            29  C1x C    22.8051  -17.0461
            30  O6a O    23.9887  -14.9763
            31  C8y C    23.9945  -19.1161
            32  C1x C    22.8051  -18.4281
BOND        36
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 1
            17   11  18 1
            18   12  19 1
            19   13  20 1
            20   14  21 2
            21   14  22 1
            22   15  23 1
            23   17  24 1
            24   19  25 1
            25   20  26 1
            26   21  27 1
            27   22  28 2
            28   25  29 1
            29   25  30 2
            30   27  31 2
            31   29  32 1
            32    9  13 1
            33   12  16 1
            34   18  24 1
            35   28  31 1
            36   31  32 1

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