Mol:FL6FWXNF0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.3687 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3687 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8565 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8565 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5939 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2488 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -1.8248 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 6 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 1 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 26 M SMT 1 OCH3 M SBV 1 26 -7.2253 5.2437 S SKP 8 ID FL6FWXNF0001 KNApSAcK_ID C00008793 NAME Hildgardtene CAS_RN 104777-96-0 FORMULA C21H20O3 EXACTMASS 320.141244506 AVERAGEMASS 320.38169999999997 SMILES C(C=3)(c(c4)cccc4)Oc(c2C3)c(c1cc2OC)CC(O1)C(C)=C M END
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