Mol:BMMCBZ4So011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 15 15 0 0 0 0 0 0 0 0999 V2000 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 5 2 0 0 0 0 1 7 1 0 0 0 0 5 4 1 0 0 0 0 7 8 2 0 0 0 0 4 3 2 0 0 0 0 8 9 1 0 0 0 0 3 2 1 0 0 0 0 9 10 2 0 0 0 0 2 1 2 0 0 0 0 3 11 1 0 0 0 0 1 6 1 0 0 0 0 5 14 1 0 0 0 0 11 12 1 0 0 0 0 4 13 1 0 0 0 0 14 15 1 0 0 0 0 S SKP 7 ID BMMCBZ4So011 NAME Sinapoyl aldehyde FORMULA C11H12O4 EXACTMASS 208.0735 AVERAGEMASS 208.2105 SMILES O=CC=Cc(c1)cc(OC)c(O)c(OC)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05610 M END