Mol:BMSUM6Up--01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 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 1 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 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
2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 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
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
5 12 1 6 0 0 0
3 10 2 0 0 0 0
3 2 1 0 0 0 0
5 4 1 0 0 0 0
2 9 2 0 0 0 0
6 5 1 0 0 0 0
2 1 1 0 0 0 0
4 11 1 6 0 0 0
6 13 1 0 0 0 0
1 8 1 0 0 0 0
1 7 2 0 0 0 0
S SKP 7
ID BMSUM6Up--01
NAME 2,3-Dioxo-L-gulonic acid
FORMULA C6H8O7
EXACTMASS 192.027
AVERAGEMASS 192.1235
SMILES OC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05409
M END
