Mol:BMSUM6Ar--01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 1 0 0 0 0 0999 V2000
2.8660 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 11 1 0 0 0 0
11 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 6 0 0 0
1 7 1 4 0 0 0
2 8 1 1 0 0 0
3 9 1 6 0 0 0
4 10 1 1 0 0 0
S SKP 7
ID BMSUM6Ar--01
NAME 6-Deoxy-D-glucose
FORMULA C6H12O5
EXACTMASS 164.0684
AVERAGEMASS 164.1564
SMILES C[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02522
M END
