Mol:LBST04010271
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 5.4641 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 0 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 0 0 0 0 0 0 0 0 0 0 4.5981 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 2.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.5548 0.0000 C 0 0 0 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 2 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 5.1104 -4.8117 0.0000 C 0 0 0 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 4.7503 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -2.1664 0.0000 C 0 0 1 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 5.4641 -0.9452 0.0000 C 0 0 0 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 4.5981 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4452 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 5.7795 -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 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 6 0 0 0 5 7 1 0 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 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 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 3 25 2 0 0 0 0 7 26 1 6 0 0 0 13 27 1 6 0 0 0 18 28 1 0 0 0 0 18 29 2 0 0 0 0 S SKP 5 ID LBST04010271 FORMULA C24H36O5 EXACTMASS 404.256274262 AVERAGEMASS 404.53964 SMILES C[C@@H]([C@@H](C1)[C@@](C)([C@H]4O)[C@H]([C@H](C2)[C@H](C4)[C@](C3)(C)C(=CC(C3)=O)[C@H]2O)C1)CCC(O)=O M END