Mol:LBF20406LT15
Copyright: ARM project http://www.metabolome.jp/
43 42 0 0 0 0 0 0 0 0999 V2000 -0.3633 2.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7898 2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6377 2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 1.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6377 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 1.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2088 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4943 1.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3511 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9235 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9235 3.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 3.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 0.2406 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 0.2406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 1.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.5844 0.0000 N 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 3.2087 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9232 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9232 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 -0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3521 0.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9232 -1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 -2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 -2.2344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3522 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 -3.0594 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 30 31 1 0 31 32 1 0 32 33 1 0 31 34 2 0 28 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 33 39 1 0 39 40 1 0 39 41 1 1 40 42 1 0 40 43 2 0 15 22 1 0 15 24 1 6
S SKP 6 ID LBF20406LT15 FORMULA C30H47N3O9S EXACTMASS 625.303300807 AVERAGEMASS 625.7750000000001 SMILES C(O)(=O)C(CCC(=O)NC(C(=O)NCC(O)=O)CS[C@H](C=CC=CC=CCC=CCCCCC)[C@@H](O)CCCC(O)=O)N AUTODRAW FALSE M END
