Mol:BMMCQN--0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 8 0 0 0 0 0 0 0 0999 V2000
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 8 2 0 0 0 0
1 7 2 0 0 0 0
S SKP 7
ID BMMCQN--0011
NAME Quinone
FORMULA C6H4O2
EXACTMASS 108.0211
AVERAGEMASS 108.0947
SMILES O=c(c1)ccc(=O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00472
M END
