Mol:BMACID--0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
15 16 0 0 1 0 0 0 0 0999 V2000
5.4087 -1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0019 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0074 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9335 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9335 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7995 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6655 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6655 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7995 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3383 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 1.4891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9781 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6254 1.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 3 1 0 0 0 0
9 3 1 0 0 0 0
12 15 2 0 0 0 0
11 13 1 1 0 0 0
3 2 2 0 0 0 0
14 12 1 0 0 0 0
2 1 1 0 0 0 0
12 11 1 0 0 0 0
1 8 1 0 0 0 0
11 10 1 0 0 0 0
9 8 2 0 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 9 1 0 0 0 0
S SKP 7
ID BMACID--0003
NAME L-Tryptophan
FORMULA C11H12N2O2
EXACTMASS 204.0898
AVERAGEMASS 204.2252
SMILES OC(=O)[C@@H](N)Cc(c1)c(c2)c(ccc2)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00078
M END
</pre>
