Mol:BMMCBZ3Sm028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 0 0 0 0 0 0999 V2000
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 12 1 0 0 0 0
5 4 2 0 0 0 0
2 10 1 0 0 0 0
4 3 1 0 0 0 0
1 7 1 0 0 0 0
3 2 2 0 0 0 0
7 8 1 0 0 0 0
2 1 1 0 0 0 0
8 9 1 0 0 0 0
1 6 2 0 0 0 0
9 11 1 0 0 0 0
6 5 1 0 0 0 0
7 13 2 0 0 0 0
S SKP 7
ID BMMCBZ3Sm028
NAME 3-Amino-1- (2-amino-3-hydroxyphenyl) propan-1-one
CAS_RN 99362-47-7
FORMULA C9H12N2O2
EXACTMASS 180.0898
AVERAGEMASS 180.2038
SMILES NCCC(=O)c(c1)c(N)c(O)cc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05636
M END
