Mol:BMFYB4ESb012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.9641 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
9 10 1 0 0 0 0
9 14 2 0 0 0 0
1 12 2 0 0 0 0
3 4 1 0 0 0 0
1 2 1 0 0 0 0
4 5 1 0 0 0 0
3 13 1 1 0 0 0
5 8 1 0 0 0 0
11 1 1 0 0 0 0
5 6 1 0 0 0 0
13 9 1 0 0 0 0
5 7 1 0 0 0 0
S SKP 7
ID BMFYB4ESb012
NAME O-Acetyl-L-carnitine
FORMULA C9H18NO4
EXACTMASS 204.1235
AVERAGEMASS 204.2435
SMILES CC(=O)O[C@@H](CC(O)=O)C[N+1](C)(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02571
M END
