Mol:FL1AACNI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.2456 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 0.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 0.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 -0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6754 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6754 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 0.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 -0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5311 -1.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 -1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 1.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 -2.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 -2.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 7 19 2 0 0 0 0 16 20 1 0 0 0 0 6 21 1 0 0 0 0 17 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 14 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 FL1AACNI0002 KNApSAcK_ID C00008034 NAME Antiarone B CAS_RN 128864-27-7 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c3O)c(O)cc(c23)oc(c(=O)2)=Cc(c(CC=C(C)C)1)cc(CC=C(C)C)c(c1O)O M END
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