Mol:BMMCLA--q001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
9 9 0 0 1 0 0 0 0 0999 V2000
3.2601 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5691 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1569 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
4 3 1 0 0 0 0
2 8 2 0 0 0 0
3 9 1 1 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
S SKP 7
ID BMMCLA--q001
NAME (R)-Pantolactone
FORMULA C6H10O3
EXACTMASS 130.0629
AVERAGEMASS 130.1418
SMILES O=C(O1)[C@H](O)C(C)(C)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01012
M END
