Mol:LBF20406SF07
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 38 0 0 0 0 0 0 0 0999 V2000 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 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 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5000 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 10.6603 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 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 3.7321 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.5000 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 8 32 1 6 0 0 0 7 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 1 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 16 33 1 0 0 0 0 16 34 2 0 0 0 0 15 35 1 0 0 0 0 15 36 2 0 0 0 0 17 31 1 0 0 0 0 31 18 1 0 0 0 0 31 37 2 0 0 0 0 21 38 1 0 0 0 0 21 39 2 0 0 0 0 S SKP 5 ID LBF20406SF07 FORMULA C28H44N2O8S EXACTMASS 568.281837084 AVERAGEMASS 568.72364 SMILES C([C@H](O)[C@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C=CC=CC=CCC=CCCCCC)CCC(O)=O M END