Mol:PBX00048
From Metabolomics.JP
OpenBabel10130914012D 14 15 0 0 0 0 0 0 0 0999 V2000 550.1819 -815.7651 0.0000 C 0 0 0 0 0 847.3309 -644.2061 0.0000 C 0 0 0 0 0 550.1819-1158.8832 0.0000 C 0 0 0 0 0 847.3309-1330.4421 0.0000 C 0 0 0 0 0 1144.4799-1158.8832 0.0000 C 0 0 0 0 0 1144.4799 -815.7651 0.0000 C 0 0 0 0 0 1470.8046 -709.7358 0.0000 C 0 0 0 0 0 1672.4841 -987.3242 0.0000 C 0 0 0 0 0 1470.8044-1264.9125 0.0000 N 0 0 0 0 0 1576.8340 -383.4112 0.0000 C 0 0 0 0 0 1347.2434 -128.4246 0.0000 O 0 0 0 0 0 1912.4542 -312.0732 0.0000 H 0 0 0 0 0 847.3309 -301.0880 0.0000 O 0 0 0 0 0 550.1819 -129.5290 0.0000 C 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 2 6 1 0 0 0 2 13 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 5 9 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 10 1 0 0 0 8 9 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 13 14 1 0 0 0 S SKP 6 NAME 4-methoxy-1H-indole-3-carbaldehyde ID PBX00048 FORMULA C10H9NO2 EXACTMASS 175.063328537 AVERAGEMASS 175.184 SMILES COc(c2)c(c(cc2)1)c(C([H])=O)cn1 M END