Mol:FL5F2CNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -2.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -0.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 1.2204 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 2 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 S SKP 8 ID FL5F2CNI0001 KNApSAcK_ID C00005117 NAME Neouralenol;2-[3,4-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-3,6,7-trihydroxy-4H-1-benzopyran-4-one CAS_RN 139163-16-9 FORMULA C20H18O7 EXACTMASS 370.10525293 AVERAGEMASS 370.35272 SMILES c(c1)c(O)c(c(CC=C(C)C)c1C(=C3O)Oc(c2)c(C3=O)cc(O)c(O)2)O M END
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