Mol:FL2FQUNR0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 31 0 0 0 0 0 0 0 0999 V2000 -1.1891 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6328 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0765 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0765 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6328 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5922 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7262 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7262 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5922 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 -1.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6328 -1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6328 1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8471 -0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2922 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9109 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 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 1 0 0 0 0 4 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 6 19 1 0 0 0 0 2 20 1 6 0 0 0 6 22 1 6 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 21 26 1 0 0 0 0 26 25 1 0 0 0 0 1 27 2 0 0 0 0 3 21 1 6 0 0 0 2 25 1 0 0 0 0 S SKP 8 ID FL2FQUNR0001 KNApSAcK_ID C00008371 NAME Louisfieserone A CAS_RN 66641-50-7 FORMULA C22H24O5 EXACTMASS 368.162373878 AVERAGEMASS 368.42296000000005 SMILES CC(C(C)(C)5)(C(=O)3)C(O1)=C(C(C54)(C(OC4)3C)O)C(=O)CC1c(c2)cccc2 M END
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