Mol:LBST03020094
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 4.5981 4.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 4.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 -0.9342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6574 -1.6774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0175 -3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 -2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6355 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7085 -4.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3776 -5.0658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5576 -5.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5855 -6.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 6.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3287 -5.3748 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 21 22 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 6 0 0 0 21 24 3 0 0 0 0 24 25 1 0 0 0 0 25 26 1 4 0 0 0 25 30 1 0 0 0 0 25 27 1 0 0 0 0 30 27 1 0 0 0 0 S SKP 5 ID LBST03020094 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](CC#CC(C)(C2)O2)C)1C M END