Mol:BMCCID--m003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 13 0 0 0 0 0 0 0 0999 V2000
4.9945 -0.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5933 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3364 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2024 2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0685 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0685 0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2024 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3364 0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4074 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
2 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
S SKP 7
ID BMCCID--m003
NAME 2-(2-Amino-ethyl)-indole
FORMULA C10H12N2
EXACTMASS 160.1
AVERAGEMASS 160.2157
SMILES NCCc(c1)nc(c2)c(ccc2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02548
M END
