Mol:BMMCLA--0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 8 0 0 0 0 0 0 0 0999 V2000
4.0984 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9994 -0.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2219 0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5984 1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5984 1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9749 0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1974 -0.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 1 1 0 0 0 0
6 7 1 0 0 0 0
4 3 1 0 0 0 0
5 6 1 0 0 0 0
1 2 1 0 0 0 0
3 2 1 0 0 0 0
5 4 1 0 0 0 0
6 8 2 0 0 0 0
S SKP 7
ID BMMCLA--0008
NAME 6-Hexanolide
FORMULA C6H10O2
EXACTMASS 114.068
AVERAGEMASS 114.1424
SMILES O=C(C1)OCCCC1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01880
M END
