Mol:FLIAALNI0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -2.3394 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2257 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0053 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2263 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3406 -0.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 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 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 14 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 22 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 S SKP 8 ID FLIAALNI0017 KNApSAcK_ID C00009926 NAME Lupinisol B CAS_RN 121748-00-3 FORMULA C25H26O7 EXACTMASS 438.167853186 AVERAGEMASS 438.46974 SMILES c(c(CC=C(C)C)1)(ccc(C(=C3)C(=O)c(c2O3)c(c(CC(O)C(C)=C)c(O)c2)O)c1O)O M END