Mol:BMACBZHOg013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
2.0000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 9 1 0 0 0 0
14 11 2 0 0 0 0
11 10 1 0 0 0 0
10 12 1 4 0 0 0
3 4 1 0 0 0 0
4 5 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
8 3 2 0 0 0 0
9 3 1 0 0 0 0
6 15 1 0 0 0 0
11 13 1 0 0 0 0
13 2 1 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMACBZHOg013
NAME Ethyl (2S) -2-amino-3- (4-hydroxyphenyl) propanoic acid
CAS_RN 949-67-7
FORMULA C11H15NO3
EXACTMASS 209.1051
AVERAGEMASS 209.2417
SMILES CCOC(=O)C(N)Cc(c1)ccc(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01458
M END
