Mol:LBST04030061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 4.5981 4.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 4.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 3.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 3.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 2.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.9019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 0.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 -0.5762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -1.3193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1714 -1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 -2.2704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5534 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 -3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -4.7077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6045 -5.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 -4.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6263 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 -6.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 6.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.4783 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 13 28 1 6 0 0 0 25 27 1 4 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 2 31 1 6 0 0 0 22 32 1 4 0 0 0 S SKP 5 ID LBST04030061 FORMULA C27H46O5 EXACTMASS 450.334524582 AVERAGEMASS 450.65114 SMILES O[C@H](C4)C[C@H]([C@@](C4)(C)3)CC[C@H]([C@@H]32)[C@H](C1)[C@](C)([C@@H](O)C2)[C@@H]([C@@H](C(O)CCC(C)C(O)=O)C)C1 M END