Mol:PR100845
From Metabolomics.JP
17 17 0 0 1 0 0 0 0 0999 V2000 25.4489 -16.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1544 -15.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5558 -15.4081 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 25.8741 -17.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9787 -16.4712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.6501 -16.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5433 -13.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2374 -17.4968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3153 -15.8084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9787 -17.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1396 -16.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1544 -18.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7968 -18.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9577 -15.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1396 -17.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7820 -16.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6065 -15.8084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 1 0 0 9 11 1 0 0 0 10 12 1 0 0 0 10 13 2 0 0 0 11 14 1 0 0 0 11 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 6 8 2 0 0 0 S SKP 7 CAS_RN 584-85-0 NAME L-Anserine ID PR100845 FORMULA C10H16N4O3 EXACTMASS 240.122240398 AVERAGEMASS 240.2592 SMILES NCCC(=O)N[C@H](C(O)=O)Cc(c1)n(C)cn1 M END