Mol:LBF20406SF06
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 32 0 0 0 0 0 0 0 0999 V2000 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1961 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 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 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 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 2.8660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 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 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 1 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 10 21 1 6 0 0 0 11 28 1 6 0 0 0 21 22 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 15 29 1 0 0 0 0 15 30 2 0 0 0 0 25 31 1 0 0 0 0 25 32 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 33 2 0 0 0 0 S SKP 5 ID LBF20406SF06 FORMULA C25H39NO6S EXACTMASS 481.249808675 AVERAGEMASS 481.6463 SMILES C(C=CC=CCC=CCCCCC)=C[C@H]([C@H](CCCC(O)=O)O)SC[C@@H](C(O)=O)NC(C)=O M END