KEGG   COMPOUND: C16951Help
Entry
C16951                      Compound                               

Name
Deoxyschizandrin
Formula
C24H32O6
Exact mass
416.2199
Mol weight
416.5073
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 61281-38-7
PubChem: 96023438
ChEBI: 80818
ChEMBL: CHEMBL253908 CHEMBL479898
KNApSAcK: C00041495
NIKKAJI: J815.751K
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    27.4400  -20.2300
            2   C8y C    27.4400  -21.6300
            3   C8y C    26.1100  -19.8100
            4   C8y C    28.4200  -19.2500
            5   C8y C    28.4900  -22.6100
            6   C8y C    26.2500  -21.9100
            7   C8y C    25.6900  -18.4800
            8   O2a O    24.8500  -20.3700
            9   C8x C    27.9300  -17.8500
            10  C1x C    29.8200  -19.2500
            11  C8x C    28.1400  -23.9400
            12  C1x C    29.8900  -22.6100
            13  C8y C    25.8300  -23.3800
            14  O2a O    24.8500  -21.2800
            15  C8y C    26.6700  -17.5000
            16  O2a O    24.4300  -17.8500
            17  C1a C    23.6600  -19.7400
            18  C1y C    30.6600  -20.1600
            19  C8y C    26.8100  -24.3600
            20  C1y C    30.6600  -21.7000
            21  O2a O    24.4300  -23.7300
            22  C1a C    23.5200  -21.9800
            23  O2a O    26.0400  -16.2400
            24  O2a O    26.4600  -25.6900
            25  C1a C    31.9900  -22.1900
            26  C1a C    24.0800  -25.0600
            27  C1a C    25.1300  -26.1100
            28  C1a C    24.6400  -16.1700
            29  C1a C    23.2400  -18.6200
            30  C1a C    31.9639  -19.6502
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 2
            15    7  16 1
            16    8  17 1
            17   10  18 1
            18   11  19 2
            19   12  20 1
            20   13  21 1
            21   14  22 1
            22   15  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   24  27 1
            27    9  15 1
            28   13  19 1
            29   18  20 1
            30   23  28 1
            31   16  29 1
            32   18  30 1

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