Mol:BMMCBZ3Sm055
From Metabolomics.JP
(Difference between revisions)
| Line 33: | Line 33: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCBZ3Sm055 | ID BMMCBZ3Sm055 | ||
| − | NAME | + | NAME 4- [1-Hydroxy-2- (methylamino) ethyl] -2-methoxyphenol |
| + | CAS_RN 5001-33-2 | ||
FORMULA C10H15NO3 | FORMULA C10H15NO3 | ||
EXACTMASS 197.1051 | EXACTMASS 197.1051 | ||
Latest revision as of 16:10, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 1 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
3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 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
4.5981 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 11 1 0 0 0 0
5 4 2 0 0 0 0
11 12 1 0 0 0 0
4 3 1 0 0 0 0
4 13 1 0 0 0 0
3 2 2 0 0 0 0
1 7 1 0 0 0 0
2 1 1 0 0 0 0
7 8 1 0 0 0 0
1 6 2 0 0 0 0
8 9 1 0 0 0 0
6 5 1 0 0 0 0
7 14 1 6 0 0 0
9 10 1 0 0 0 0
S SKP 7
ID BMMCBZ3Sm055
NAME 4- [1-Hydroxy-2- (methylamino) ethyl] -2-methoxyphenol
CAS_RN 5001-33-2
FORMULA C10H15NO3
EXACTMASS 197.1051
AVERAGEMASS 197.231
SMILES CNC[C@H](O)c(c1)cc(OC)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05588
M END
