Mol:LBST04010358
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 5.4533 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 4.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7213 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 3.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5873 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8553 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7213 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4533 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4533 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 -0.6143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3849 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0996 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7395 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0485 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0267 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3194 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7688 -5.5548 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 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 9 11 2 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 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 0 0 0 0 21 22 1 6 0 0 0 12 23 1 1 0 0 0 6 24 1 1 0 0 0 3 25 1 6 0 0 0 13 26 1 6 0 0 0 15 27 1 1 0 0 0 18 28 1 0 0 0 0 18 29 2 0 0 0 0 S SKP 5 ID LBST04010358 FORMULA C24H38O5 EXACTMASS 406.271924326 AVERAGEMASS 406.55552 SMILES C([C@@H]12)[C@@H]([C@@]([C@H]4[C@@H](CCC(O)=O)C)(C)C([C@H](O)C4)=C1CC[C@H](C3)[C@@](C)2CC[C@@H](O)3)O M END