Mol:BMMCACDEk005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 16 0 0 1 0 0 0 0 0999 V2000 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7500 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 7.1962 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 6 5 2 0 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 2 1 2 0 0 0 0 7 12 1 0 0 0 0 7 11 2 0 0 0 0 1 7 1 0 0 0 0 4 14 1 1 0 0 0 3 13 1 6 0 0 0 13 9 1 0 0 0 0 8 16 1 0 0 0 0 8 15 2 0 0 0 0 9 8 1 0 0 0 0 9 10 2 0 0 0 0 S SKP 7 ID BMMCACDEk005 NAME Chorismic acid FORMULA C10H10O6 EXACTMASS 226.0477 AVERAGEMASS 226.1828 SMILES OC(=O)C(=C)O[C@H](C=1)[C@H](O)C=CC(C(O)=O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00251 M END