Mol:PR100838
From Metabolomics.JP
ACD/Labs08070914422D 7 6 0 0 0 0 0 0 0 0 1 V2000 19.7164 -5.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5264 -4.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9764 -4.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7164 -6.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3364 -5.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5264 -3.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1664 -5.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 S SKP 7 CAS_RN 144-90-1 NAME DL-3-Aminoisobutyric acid ID PR100838 FORMULA C4H9NO2 EXACTMASS 103.06332853699999 AVERAGEMASS 103.11980000000001 SMILES NCC(C)C(O)=O M END