Mol:BMMCBZ3Sm057
From Metabolomics.JP
(Difference between revisions)
| Line 31: | Line 31: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCBZ3Sm057 | ID BMMCBZ3Sm057 | ||
| − | NAME | + | NAME 4- (2-Amino-1-hydroxyethyl) -2-methoxyphenol |
| + | CAS_RN 97-31-4 | ||
FORMULA C9H13NO3 | FORMULA C9H13NO3 | ||
EXACTMASS 183.0895 | EXACTMASS 183.0895 | ||
Latest revision as of 16:10, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 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
4.5981 1.7500 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
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 10 1 0 0 0 0
5 4 2 0 0 0 0
10 11 1 0 0 0 0
4 3 1 0 0 0 0
4 12 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 13 1 6 0 0 0
S SKP 7
ID BMMCBZ3Sm057
NAME 4- (2-Amino-1-hydroxyethyl) -2-methoxyphenol
CAS_RN 97-31-4
FORMULA C9H13NO3
EXACTMASS 183.0895
AVERAGEMASS 183.2044
SMILES NC[C@H](O)c(c1)cc(OC)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05589
M END
