Mol:LBST03020054
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 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 8.5175 -2.2645 0.0000 C 0 0 0 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 -3.2645 0.0000 C 0 0 0 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 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 C 0 0 2 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 2 0 0 0 0 0 0 0 0 0 5.5254 1.9955 0.0000 C 0 0 2 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 S 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 6.1945 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 -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 10.2496 -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 4 5 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 10 11 1 0 0 0 0 3 11 2 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 9 19 1 0 0 0 0 5 20 1 6 0 0 0 16 28 1 6 0 0 0 21 22 1 0 0 0 0 19 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 18 30 1 1 0 0 0 19 27 1 6 0 0 0 S SKP 5 ID LBST03020054 FORMULA C26H42O3S EXACTMASS 434.28546589999996 AVERAGEMASS 434.67588 SMILES C(C1)[C@H]([C@@H](C)SCCC(C)(C)O)[C@@](C2)([C@@H]1C(=CC=C(C3)C(=C)[C@@H](O)C[C@H](O)3)CC2)C M END