Mol:LBST04020005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 5.4641 4.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 4.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.5304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 3.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 3.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 1.5304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 0.5304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.5304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 -0.9478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -1.6909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0374 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -2.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 -3.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1104 -4.3362 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7795 -5.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4705 -6.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 -4.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0304 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 6 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 9 10 1 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 1 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 12 17 1 6 0 0 0 11 15 1 1 0 0 0 5 18 1 1 0 0 0 12 19 1 1 0 0 0 17 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 2 27 1 6 0 0 0 8 28 1 6 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 24 29 1 4 0 0 0 13 30 1 6 0 0 0 S SKP 5 ID LBST04020005 FORMULA C26H44O4 EXACTMASS 420.32395989599996 AVERAGEMASS 420.62515999999994 SMILES C[C@]([C@@H]([C@@H](CCC(O)C=C)C)4)([C@H]3O)[C@@H](CC4)[C@@H]([C@H](C3)1)[C@@H](C[C@H](C2)[C@](CC[C@H]2O)1C)O M END