KEGG   COMPOUND: C03844Help
Entry
C03844                      Compound                               

Name
D-Pinitol;
1D-3-O-Methyl-chiro-inositol;
5D-5-O-Methyl-chiro-inositol
Formula
C7H14O6
Exact mass
194.079
Mol weight
194.1825
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
CAS: 10284-63-6
PubChem: 6581
ChEBI: 28548
ChEMBL: CHEMBL493737
KNApSAcK: C00001168
NIKKAJI: J14.856C
LinkDB All DBs
KCF data Show

ATOM        13
            1   C1y C    27.0281  -15.3719
            2   C1y C    27.0281  -16.7643
            3   C1y C    25.8192  -14.6819
            4   O2a O    28.2181  -14.6819
            5   C1y C    25.8192  -17.4670
            6   O1a O    28.2181  -17.4479
            7   C1y C    24.6229  -15.3719
            8   O1a O    25.8127  -13.3083
            9   C1a C    29.5664  -15.5681
            10  C1y C    24.6229  -16.7643
            11  O1a O    25.8127  -18.8404
            12  O1a O    23.4328  -14.6819
            13  O1a O    23.4328  -17.4479
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 #Down
            12   10  13 1 #Up
            13    7  10 1

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