Mol:BMFYB4CAb017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 10 9 0 0 0 0 0 0 0 0999 V2000 2.8660 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6830 0.0000 C 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 5 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 S SKP 7 ID BMFYB4CAb017 NAME Crotono-betaine FORMULA C7H13NO2 EXACTMASS 143.0946 AVERAGEMASS 143.1836 SMILES OC(=O)[C+1]=CC[N+1](C)(C)C KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11458 M END