Mol:FL3F99NS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 18 20 0 0 0 0 0 0 0 0999 V2000 -1.9576 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8237 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8237 1.1270 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 3 11 1 0 0 0 0 7 12 2 0 0 0 0 9 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 S SKP 8 ID FL3F99NS0003 KNApSAcK_ID C00003788 NAME Primuletin CAS_RN 491-78-1 FORMULA C15H10O3 EXACTMASS 238.062994186 AVERAGEMASS 238.2381 SMILES Oc(c3)c(C(=O)2)c(cc3)OC(=C2)c(c1)cccc1 M END
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