Mol:BMFYB8AMf005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
8.9282 3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 C 0 0 0 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
4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6602 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
9 11 1 0 0 0 0
6 7 1 0 0 0 0
2 3 1 0 0 0 0
10 16 1 0 0 0 0
7 8 1 0 0 0 0
16 15 1 0 0 0 0
4 5 1 0 0 0 0
15 14 1 0 0 0 0
8 9 1 0 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
2 1 1 0 0 0 0
16 20 2 0 0 0 0
5 6 1 0 0 0 0
12 19 2 0 0 0 0
4 10 1 4 0 0 0
12 18 1 0 0 0 0
9 17 2 0 0 0 0
S SKP 7
ID BMFYB8AMf005
NAME 5- (8-Amino-8-oxo-3-sulfanyloctyl) sulfanyl-5-oxopentanoic acid
CAS_RN 959571-27-8
FORMULA C13H23NO4S2
EXACTMASS 321.1068
AVERAGEMASS 321.458
SMILES SCCC(CCCCC(N)=O)SC(=O)CCCC(O)=O
KEGG
M END
