KEGG   COMPOUND: C17527
Entry
C17527                      Compound                               
Name
Rengyol
Formula
C8H16O3
Exact mass
160.1099
Mol weight
160.21
Structure
Other DBs
PubChem: 96023872
ChEBI: 81160
NIKKAJI: J657.793H
LinkDB
KCF data

ATOM        11
            1   C1x C    28.8140  -21.4611
            2   C1z C    27.6318  -20.7657
            3   C1x C    28.8140  -22.8520
            4   C1x C    26.3800  -21.4611
            5   C1y C    27.6318  -23.6170
            6   C1x C    26.3800  -22.8520
            7   C1b C    27.6489  -19.3749
            8   O1a O    27.6497  -25.0078
            9   C1b C    28.8489  -18.7016
            10  O1a O    28.8363  -20.0703
            11  O1a O    28.8489  -17.3108
BOND        11
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   6 1
            7     2   7 1
            8     5   8 1 #Down
            9     7   9 1
            10    2  10 1 #Down
            11    9  11 1

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