Mol:FL2FA9NR0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 -0.6975 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -1.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4407 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4407 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -1.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0175 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4964 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4964 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0175 -1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9751 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 -2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2179 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3101 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3101 2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6634 2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6634 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7959 1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2806 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7959 0.8435 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 2 18 1 0 0 0 0 1 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 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 21 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 6 29 1 0 0 0 0 5 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 34 36 1 0 0 0 0 31 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 S SKP 8 ID FL2FA9NR0002 KNApSAcK_ID C00008404 NAME Neolinderatone CAS_RN 123297-92-7 FORMULA C35H44O4 EXACTMASS 528.323959896 AVERAGEMASS 528.72146 SMILES C(C(C(c(c32)c(c(C(C5C(C)C)C=C(CC5)C)c(O)c2C(=O)CC(c(c4)cccc4)O3)O)1)CCC(C)=C1)(C)C M END
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