Mol:FLIAALNP0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.7470 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0781 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0781 1.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 -0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6291 -1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 -0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6291 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0781 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3031 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3031 1.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 -1.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3031 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4129 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 1.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6291 1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 1.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 1.3473 0.0000 O 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 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 16 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 27 32 1 0 0 0 0 S SKP 8 ID FLIAALNP0014 KNApSAcK_ID C00009917 NAME Lupinisolone C CAS_RN 121747-98-6 FORMULA C25H26O7 EXACTMASS 438.167853186 AVERAGEMASS 438.46974 SMILES c(c4)(c(c(c(c4)C(=C2)C(c(c(O)3)c(cc(c3CC=C(C)C)O)O2)=O)1)CC(O)C(C)(C)O1)O M END