Mol:LBST03010027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 33 0 0 0 0 0 0 0 0999 V2000 4.6950 2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 4.6886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9152 5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4975 5.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6785 3.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2773 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0797 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5445 0.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6785 0.1144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8125 0.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8125 -0.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8125 -1.3855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6785 -1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5445 -1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5445 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 -1.6945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8125 -2.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 -2.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5525 -2.6456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6473 -5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 -4.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -4.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -5.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 -3.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 5.0954 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 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 8 7 1 1 0 0 0 10 9 1 0 0 0 0 10 6 1 1 0 0 0 9 11 1 4 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 0 0 0 11 16 1 1 0 0 0 16 17 1 0 0 0 0 18 17 1 1 0 0 0 12 18 1 0 0 0 0 8 10 1 0 0 0 0 12 19 1 1 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 24 26 1 0 0 0 0 18 22 1 0 0 0 0 22 27 1 6 0 0 0 25 28 1 1 0 0 0 2 29 1 1 0 0 0 8 9 1 0 0 0 0 S SKP 5 ID LBST03010027 FORMULA C28H44O EXACTMASS 396.33921603 AVERAGEMASS 396.64835999999997 SMILES C(C2)(=C([C@H](C([C@@H]45)3CCC[C@]4(C)[C@@H]([C@@H](C=C[C@@H](C(C)C)C)C)CC5)[C@@H]23)1)CC[C@H](O)C1 M END