Mol:LBF20406LT17
Copyright: ARM project http://www.metabolome.jp/
30 29 0 0 0 0 0 0 0 0999 V2000 0.0021 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7099 1.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4219 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1339 1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8459 1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5579 1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2699 1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2699 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6865 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7181 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7181 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2699 1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0177 -0.4648 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 -0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 -0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 -0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 -0.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 0.7699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 -1.2899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 17 1 0 17 18 1 0 17 19 2 0 16 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 26 30 1 1 1 22 1 0 1 24 1 6
S SKP 6 ID LBF20406LT17 FORMULA C23H37NO5S EXACTMASS 439.239243989 AVERAGEMASS 439.60962000000006 SMILES OC(=O)CCC[C@@H]([C@@H](C=CC=CC=CCC=CCCCCC)SC[C@H](N)C(O)=O)O AUTODRAW FALSE M END
