KEGG   COMPOUND: C05163
Entry
C05163                      Compound                               
Name
O-Methyl-scyllo-inositol;
1-O-Methyl-scyllo-inositol
Formula
C7H14O6
Exact mass
194.079
Mol weight
194.1825
Structure
Other DBs
PubChem: 7579
NIKKAJI: J2.172.259F
LinkDB
KCF data

ATOM        13
            1   C1y C    28.1598  -20.0477
            2   C1y C    26.9542  -19.3361
            3   C1y C    29.3845  -19.3361
            4   O2a O    28.1533  -21.4393
            5   C1y C    26.9542  -17.9254
            6   O1a O    25.7423  -20.0286
            7   C1y C    29.3845  -17.9254
            8   O1a O    30.5901  -20.0286
            9   C1a C    26.9479  -22.1383
            10  C1y C    28.1598  -17.2264
            11  O1a O    25.7423  -17.2264
            12  O1a O    30.5901  -17.2200
            13  O1a O    28.1533  -15.8348
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    7  12 1 #Up
            12   10  13 1 #Down
            13    7  10 1

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