Mol:LBF20406LT14
Copyright: ARM project http://www.metabolome.jp/
43 42 0 0 0 0 0 0 0 0999 V2000 -0.3633 1.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 2.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7873 1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4993 2.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 2.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6353 1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6353 0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2269 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -0.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0835 -0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0835 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9211 1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 3.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 3.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 0.2406 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4918 0.2406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 1.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 -0.5844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7774 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4918 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7774 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 0.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 -1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 -2.2344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6353 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -3.0594 0.0000 O 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 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 1 22 1 0 1 24 1 6
S SKP 6 ID LBF20406LT14 FORMULA C30H47N3O9S EXACTMASS 625.303300807 AVERAGEMASS 625.7750000000001 SMILES C(O)(=O)[C@H](CCC(=O)N[C@@H](C(=O)NCC(O)=O)CS[C@H](C=CC=CC=CCC=CCCCCC)[C@H](O)CCCC(O)=O)N AUTODRAW FALSE M END
