Mol:LBST04010304
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 5.4641 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -2.1664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0374 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -3.1175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4194 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1104 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7795 -5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 -3.3254 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 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 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 25 1 6 0 0 0 24 26 1 0 0 0 0 8 27 1 6 0 0 0 28 24 2 0 0 0 0 22 29 1 4 0 0 0 S SKP 5 ID LBST04010304 FORMULA C24H40O5 EXACTMASS 408.28757439 AVERAGEMASS 408.5714 SMILES [C@@H](C)([C@@H](C4)[C@@]([C@H]3C4)(C)CC[C@@H]([C@H]31)[C@](C2)(C)[C@@H](C[C@H](O)C2)C[C@@H](O)1)C(CC(O)=O)O M END