Mol:BMACBZHOp002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 6 2 0 0 0 0
5 4 1 0 0 0 0
4 3 2 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 6 1 0 0 0 0
2 12 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
7 15 2 0 0 0 0
8 9 1 0 0 0 0
9 11 1 6 0 0 0
10 13 1 0 0 0 0
10 14 2 0 0 0 0
9 10 1 0 0 0 0
3 16 1 0 0 0 0
S SKP 7
ID BMACBZHOp002
NAME 3-Hydroxy-L-kynurenine
FORMULA C10H12N2O4
EXACTMASS 224.0797
AVERAGEMASS 224.2133
SMILES OC(=O)[C@@H](N)CC(=O)c(c1)c(N)c(O)cc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03227
M END
