Mol:BMMCBZ1Sp033
From Metabolomics.JP
(Difference between revisions)
| Line 27: | Line 27: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCBZ1Sp033 | ID BMMCBZ1Sp033 | ||
| − | NAME | + | NAME Anilino acetate |
| + | CAS_RN 71825-04-2 | ||
FORMULA C8H9NO2 | FORMULA C8H9NO2 | ||
EXACTMASS 151.0633 | EXACTMASS 151.0633 | ||
Latest revision as of 15:44, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 0 0 0 0 0 0999 V2000
3.7321 -0.5000 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
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 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
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 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 1 2 0 0 0 0
7 1 1 0 0 0 0
7 10 1 0 0 0 0
10 8 1 0 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
S SKP 7
ID BMMCBZ1Sp033
NAME Anilino acetate
CAS_RN 71825-04-2
FORMULA C8H9NO2
EXACTMASS 151.0633
AVERAGEMASS 151.1626
SMILES CC(=O)ONc(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02709
M END
