Mol:BMCCID--n007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 12 13 0 0 0 0 0 0 0 0999 V2000 6.0267 -1.4368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3686 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1006 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1006 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3686 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 9 4 1 0 0 0 0 8 9 2 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 1 8 1 0 0 0 0 9 3 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 3 0 0 0 0 S SKP 7 ID BMCCID--n007 NAME 3-Indole-acetonitrile FORMULA C10H8N2 EXACTMASS 156.0687 AVERAGEMASS 156.184 SMILES N#CCc(c1)c(c2)c(ccc2)n1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02938 M END
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