Mol:BMCCID--0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
9 10 0 0 0 0 0 0 0 0999 V2000
3.4013 1.4368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 -1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9 8 2 0 0 0 0
9 3 1 0 0 0 0
9 4 1 0 0 0 0
8 1 1 0 0 0 0
8 7 1 0 0 0 0
3 2 2 0 0 0 0
4 5 2 0 0 0 0
7 6 2 0 0 0 0
1 2 1 0 0 0 0
5 6 1 0 0 0 0
S SKP 7
ID BMCCID--0019
NAME Indole
FORMULA C8H7N
EXACTMASS 117.0578
AVERAGEMASS 117.1479
SMILES c(c2)cc(c1)c(c2)nc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00463
M END
