Mol:BMSUM4H0--01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 7 0 0 1 0 0 0 0 0999 V2000
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 7 1 6 0 0 0
3 2 1 0 0 0 0
2 6 1 1 0 0 0
3 4 1 0 0 0 0
4 8 1 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
S SKP 7
ID BMSUM4H0--01
NAME Erythritol
FORMULA C4H10O4
EXACTMASS 122.0579
AVERAGEMASS 122.1198
SMILES OC[C@@H](O)[C@@H](O)CO
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00503
M END
