Mol:FL1CHYNP0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.5176 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2924 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8198 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8198 0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 -0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 -1.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 0.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 -1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 1.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 0.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3914 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 -0.8850 0.0000 O 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 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 9 17 1 0 0 0 0 13 18 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 1 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 3 30 1 0 0 0 0 S SKP 8 ID FL1CHYNP0004 KNApSAcK_ID C00007008 NAME Glyinflanin C CAS_RN 142750-24-1 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES C(=CCc(c1)c(ccc1C(O)=CC(=O)c(c3O)cc(C=2)c(c3)OC(C2)(C)C)O)(C)C M END
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