Mol:PBX00040
From Metabolomics.JP
OpenBabel10130914012D 12 13 0 0 0 0 0 0 0 0999 V2000 903.5034 -523.8527 0.0000 C 0 0 0 0 0 1081.8584 -626.8254 0.0000 C 0 0 0 0 0 1081.8583 -832.7717 0.0000 C 0 0 0 0 0 725.1494 -626.8254 0.0000 C 0 0 0 0 0 725.1494 -832.7716 0.0000 C 0 0 0 0 0 903.5034 -935.7446 0.0000 C 0 0 0 0 0 572.1014 -970.5765 0.0000 C 0 0 0 0 0 860.6847-1137.1907 0.0000 N 0 0 0 0 0 655.8672-1158.7174 0.0000 C 0 0 0 0 0 998.4896-1290.2380 0.0000 C 0 0 0 0 0 1199.9349-1247.4199 0.0000 C 0 0 0 0 0 934.8489-1486.1042 0.0000 O 0 0 0 0 0 1 2 2 0 0 0 1 4 1 0 0 0 2 3 1 0 0 0 3 6 2 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 7 9 2 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 10 12 2 0 0 0 S SKP 6 NAME N-Acetylindole ID PBX00040 FORMULA C10H9NO EXACTMASS 159.068413915 AVERAGEMASS 159.18460000000002 SMILES CC(=O)n(c1)c(c2)c(ccc2)c1 M END