Mol:PR100837
From Metabolomics.JP
ACD/Labs08070914582D 11 10 0 0 0 0 0 0 0 0 1 V2000 16.7025 -4.8620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5351 -4.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3677 -4.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2004 -4.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0330 -4.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8656 -4.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6983 -4.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5309 -4.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3677 -5.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8656 -3.4198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6983 -5.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 9 1 0 0 0 0 7 11 2 0 0 0 0 6 10 1 0 0 0 0 S SKP 7 CAS_RN 1190-94-9 NAME DL-5-Hydroxylysine ID PR100837 FORMULA C6H14N2O3 EXACTMASS 162.100442324 AVERAGEMASS 162.18704 SMILES NCC(O)CCC(N)C(O)=O M END