Mol:PR100755
From Metabolomics.JP
11 11 0 0 1 0 0 0 0 0999 V2000 24.9301 -16.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7417 -15.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9301 -17.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0970 -16.1704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5476 -16.1704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0077 -18.0402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.0970 -17.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3651 -15.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5476 -17.5451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1709 -16.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3651 -14.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 2 0 0 0 5 8 1 0 0 0 5 9 1 6 0 0 8 10 1 0 0 0 8 11 2 0 0 0 6 7 1 0 0 0 S SKP 7 CAS_RN 71-00-1 NAME L-Histidine ID PR100755 FORMULA C6H9N3O2 EXACTMASS 155.069476547 AVERAGEMASS 155.15467999999998 SMILES OC(=O)[C@@H](N)Cc(c1)ncn1 M END