Mol:LBST04010427
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 5.4641 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 3.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 0.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 -0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -1.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 -0.9233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1104 -4.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -1.6664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0374 -1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 -4.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7795 -5.0548 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 5 4 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 6 0 0 0 5 7 1 1 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 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 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 11 15 1 1 0 0 0 21 22 1 6 0 0 0 12 23 1 1 0 0 0 6 24 1 1 0 0 0 8 25 2 0 0 0 0 18 26 1 0 0 0 0 18 27 2 0 0 0 0 S SKP 5 ID LBST04010427 FORMULA C24H38O3 EXACTMASS 374.28209508199996 AVERAGEMASS 374.55672 SMILES C([C@H]([C@H]([C@](C)14)CC[C@H]1[C@@H]([C@@H]3CC4)C(C[C@H]([C@@](C)32)CCCC2)=O)C)CC(O)=O M END