Mol:BMMCPD--k021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 9 9 0 0 0 0 0 0 0 0999 V2000 4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 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 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 3 7 1 0 0 0 0 S SKP 7 ID BMMCPD--k021 NAME Nicotinic acid FORMULA C6H5NO2 EXACTMASS 123.032 AVERAGEMASS 123.1094 SMILES OC(=O)c(c1)cncc1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00253 M END