Mol:LBST04030056
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 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 0 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 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 S SKP 5 ID LBST04030056 FORMULA C27H46O4 EXACTMASS 434.33960995999996 AVERAGEMASS 434.65173999999996 SMILES O[C@H](C4)C[C@@H](C3)[C@@](C4)(C)[C@@H](C1)[C@@H](C3)[C@H](C2)[C@]([C@@H]([C@H](C)CCCC(C(O)=O)C)C2)(C)[C@@H](O)1 M END