KEGG   COMPOUND: C14218Help
Entry
C14218                      Compound                               

Name
Octane-1,8-diol;
1,8-Octanediol
Formula
C8H18O2
Exact mass
146.1307
Mol weight
146.2273
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 629-41-4
PubChem: 7847028
ChEBI: 44630
PDB-CCD: ODI[PDBj]
NIKKAJI: J96.516B
LinkDB All DBs
KCF data Show

ATOM        10
            1   C1b C    23.7341  -19.1799
            2   C1b C    24.9465  -19.8799
            3   C1b C    26.1589  -19.1799
            4   C1b C    27.3712  -19.8799
            5   C1b C    28.5838  -19.1799
            6   C1b C    29.7962  -19.8799
            7   C1b C    31.0086  -19.1799
            8   C1b C    32.2209  -19.8799
            9   O1a O    22.5215  -19.8799
            10  O1a O    33.4334  -19.1799
BOND        9
            1     1   9 1
            2     1   2 1
            3     2   3 1
            4     3   4 1
            5     4   5 1
            6     5   6 1
            7     6   7 1
            8     7   8 1
            9     8  10 1

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