Mol:BMFYB4ESb013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0670 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.3660 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9330 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 13 1 4 0 0 0
3 2 1 0 0 0 0
3 4 1 0 0 0 0
1 11 1 0 0 0 0
1 12 2 0 0 0 0
2 1 1 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 6 1 0 0 0 0
11 9 1 0 0 0 0
9 10 1 0 0 0 0
9 14 2 0 0 0 0
M RGP 1 10 1
S SKP 7
ID BMFYB4ESb013
NAME O-Acylcarnitine
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02301
FORMULA C8H15NO4R
EXACTMASS 219.76120797299998
AVERAGEMASS 219.87014000000002
SMILES OC(C[N+1](C)(C)C)CC(=O)OC(=O)[R]
M END
