Mol:BMCCID--n007
From Metabolomics.JP
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
