Mol:LBST01010069
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 2.8660 3.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 3.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 0.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 -0.9478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5534 -3.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 -2.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -1.6909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8916 -4.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -5.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 -4.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 4.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 -6.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 6.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 6 10 1 1 0 0 0 7 11 1 6 0 0 0 11 12 1 0 0 0 0 13 12 1 1 0 0 0 8 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 8 20 1 1 0 0 0 13 16 1 0 0 0 0 16 21 1 6 0 0 0 2 22 1 1 0 0 0 2 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 1 26 1 0 0 0 0 25 28 1 1 0 0 0 18 27 1 0 0 0 0 S SKP 5 ID LBST01010069 FORMULA C27H44O EXACTMASS 384.33921603 AVERAGEMASS 384.63766 SMILES C([C@@](C)21)(=CC=C([C@H]34)[C@@H]2CC[C@]([C@H](CC4)[C@H](C)CCCC(C)C)3C)C[C@H](CC1)O M END