Mol:LBF20406LT16
Copyright: ARM project http://www.metabolome.jp/
34 33 0 0 0 0 0 0 0 0999 V2000 -0.3634 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 0.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7898 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 0.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 0.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6378 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6378 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2088 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3511 0.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -0.9969 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 -0.9969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 -1.8219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9233 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3522 -0.5844 0.0000 O 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 1 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 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 15 22 1 0 15 24 1 6
S SKP 6 ID LBF20406LT16 FORMULA C25H40N2O6S EXACTMASS 496.260707712 AVERAGEMASS 496.66098 SMILES C(=CC=CC=C[C@@H](SCC(C(=O)NCC(O)=O)N)[C@H](CCCC(O)=O)O)CC=CCCCCC AUTODRAW FALSE M END
