Mol:LBST03020030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 8.2356 1.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2356 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3696 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5035 0.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5035 1.1974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3696 1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5525 -0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9647 0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5525 1.5065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2356 -1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3696 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2356 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1016 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9676 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3696 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3696 -4.3026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2356 -4.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1016 -4.3026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2435 2.4575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9563 3.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 2.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 3.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 4.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5035 2.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9126 3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 2.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9676 -4.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5035 -4.8026 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 20 26 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 9 19 1 0 0 0 0 5 24 1 6 0 0 0 19 25 1 1 0 0 0 18 28 1 1 0 0 0 16 29 1 6 0 0 0 S SKP 5 ID LBST03020030 FORMULA C25H40O4 EXACTMASS 404.29265976799996 AVERAGEMASS 404.5827 SMILES [C@H](O)(C1)C[C@H](O)C(=C)C1=CC=C([C@@H]23)CCC[C@]2(C)[C@@H]([C@@H](OCC(C)(C)O)C)CC3 M END