Mol:BMACBZHO0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
2.8660 2.5000 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
3.7321 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 N 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
2.8660 -0.5000 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
3.7321 -2.0000 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
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.0000 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
3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
1 11 1 0 0 0 0
1 12 2 0 0 0 0
2 1 1 0 0 0 0
3 4 1 4 0 0 0
5 10 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 9 2 0 0 0 0
9 10 1 0 0 0 0
3 5 1 0 0 0 0
8 13 1 0 0 0 0
S SKP 7
ID BMACBZHO0002
NAME 3-Amino-3-(4-hydroxy-phenyl)-propanoic acid
CAS_RN 6049-54-3
FORMULA C9H11NO3
EXACTMASS 181.0738
AVERAGEMASS 181.1885
SMILES OC(=O)CC(N)c(c1)ccc(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04368
M END
