Mol:LBF20406LT18
Copyright: ARM project http://www.metabolome.jp/
30 29 0 0 0 0 0 0 0 0999 V2000 -0.0085 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5709 0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2829 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2829 -0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5685 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1395 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5682 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9974 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 -0.9970 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -0.9970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -1.8220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 1 0 16 17 1 0 16 18 2 0 15 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 1 22 24 1 6 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 26 30 1 1 22 1 1 0
S SKP 6 ID LBF20406LT18 FORMULA C23H37NO5S EXACTMASS 439.239243989 AVERAGEMASS 439.60962000000006 SMILES OC(=O)CCC[C@@H]([C@@H](C=CC=CC=CCC=CCCCCC)SCC(N)C(O)=O)O AUTODRAW FALSE M END
