Mol:BMSUM6Up--02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
1 8 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 0 0 0 0
4 10 1 6 0 0 0
5 11 1 6 0 0 0
6 12 1 0 0 0 0
2 9 2 0 0 0 0
S SKP 7
ID BMSUM6Up--02
NAME 2-Dehydro-3-deoxy-D-galactonic acid
FORMULA C6H10O6
EXACTMASS 178.0477
AVERAGEMASS 178.1399
SMILES OC[C@@H](O)[C@H](O)CC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01216
M END
