Mol:LBST03020041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 8.5175 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6515 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 -0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7855 0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6515 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6515 -1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 -2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 -3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6515 -3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6515 -4.7645 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 -5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 -4.7645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3835 -3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2496 -3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 3.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2496 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 1 0 0 0 1 6 1 0 0 0 0 4 7 1 6 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 5 9 1 0 0 0 0 3 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 5 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 12 21 1 0 0 0 0 21 22 2 0 0 0 0 9 16 1 0 0 0 0 20 28 1 1 0 0 0 16 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 14 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 S SKP 5 ID LBST03020041 FORMULA C26H42O2S EXACTMASS 418.290551278 AVERAGEMASS 418.67647999999997 SMILES C(CCC(C)(C)O)[C@H]([C@H]([C@@]31C)CC[C@H]1C(CCC3)=CC=C(C(=C)2)CSC[C@@H]2O)C M END