KEGG   COMPOUND: C08257
Entry
C08257                      Compound                               
Name
(-)-Quebrachitol
Formula
C7H14O6
Exact mass
194.079
Mol weight
194.1825
Structure
Other DBs
CAS: 642-38-6
PubChem: 10456
ChEBI: 111 170050
KNApSAcK: C00001169
NIKKAJI: J16.953F
LinkDB
KCF data

ATOM        13
            1   C1y C    27.4178  -18.8132
            2   C1y C    28.6296  -18.1140
            3   C1y C    27.4178  -20.2116
            4   O2a O    26.2058  -18.1140
            5   C1y C    29.8417  -18.8132
            6   O1a O    28.6296  -16.7158
            7   C1y C    28.6296  -20.9167
            8   O1a O    26.2058  -20.9167
            9   C1a C    24.9880  -18.8074
            10  C1y C    29.8417  -20.2116
            11  O1a O    31.0535  -18.1140
            12  O1a O    28.6296  -22.3151
            13  O1a O    31.0535  -20.9167
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 #Up
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    7  12 1 #Down
            12   10  13 1 #Down
            13    7  10 1

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