Mol:LBST03020093
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 4.5981 4.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 4.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.0066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 -1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 -0.9848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6574 -1.7279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 -2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6355 -1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0175 -3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7085 -4.3732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9653 -5.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 -4.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6563 -5.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9164 -5.3513 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 0 0 0 0 1 6 1 0 0 0 0 5 7 2 0 0 0 0 8 9 1 0 0 0 0 6 9 2 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 1 0 0 0 16 17 1 0 0 0 0 18 17 1 1 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 13 20 1 1 0 0 0 2 28 1 6 0 0 0 4 29 1 1 0 0 0 19 21 1 0 0 0 0 19 22 1 6 0 0 0 21 23 3 0 0 0 0 23 24 1 0 0 0 0 24 30 1 4 0 0 0 30 25 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 S SKP 5 ID LBST03020093 FORMULA C27H38O3 EXACTMASS 410.28209508199996 AVERAGEMASS 410.58882 SMILES [C@@H](O)(C4)C(=C)C(C[C@@H](O)4)=CC=C([C@@H]13)CCC[C@@]([C@H](CC3)[C@H](C)C#CC(O2)C2(C)C)(C)1 M END