KEGG   DRUG: Diethylene glycol monoethyl ether
Entry
D08904                      Drug                                   
Name
Diethylene glycol monoethyl ether (NF)
Formula
C6H14O3
Exact mass
134.0943
Mol weight
134.1736
Structure
Efficacy
Pharmaceutic aid (solvent)
Other DBs
CAS: 111-90-0
PubChem: 96025587
ChEBI: 40572
PDB-CCD: AE3[PDBj]
LigandBox: D08904
NIKKAJI: J5.117I
KCF data

ATOM        9
            1   O1a O    13.7900  -16.3800
            2   C1b C    15.0024  -17.0800
            3   C1b C    16.2149  -16.3800
            4   O2a O    17.4273  -17.0800
            5   C1b C    18.6397  -16.3800
            6   C1b C    19.8522  -17.0800
            7   O2a O    21.0646  -16.3800
            8   C1b C    22.2770  -17.0800
            9   C1a C    23.4895  -16.3800
BOND        8
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1

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