Mol:FLIAAANP0010
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.3338 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8255 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0009 -0.2864 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 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 22 31 1 0 0 0 0 S SKP 8 ID FLIAAANP0010 KNApSAcK_ID C00009931 NAME Lupinisolone A CAS_RN 121747-96-4 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES C(=CCc(c1)c(ccc(C(C(=O)2)=COc(c3)c2c(O)c(C4)c(OC(C)(C)C(O)4)3)1)O)(C)C M END
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