Mol:FLIG1LNI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.3415 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1163 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1163 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4398 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4398 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0346 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6294 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6294 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0346 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 -0.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 -0.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8976 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8976 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8976 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4525 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4525 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0062 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0062 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 9 19 1 0 0 0 0 19 16 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FLIG1LNI0004 KNApSAcK_ID C00010068 NAME Lupinalbin F CAS_RN 121747-93-1 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES c(c4CC=C(C)C)(cc(c3c4O)Oc(o2)c(C3=O)c(c21)ccc(O)c1CC=C(C)C)O M END
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