Mol:FL2FAANP0020
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -0.3255 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3113 -0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4295 -1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4102 -0.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4295 -2.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 -2.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 -0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1688 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1688 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 -1.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8627 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 1.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 3 8 2 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 2 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 1 1 0 0 0 0 17 18 1 0 0 0 0 11 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 16 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 26 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 S SKP 8 ID FL2FAANP0020 KNApSAcK_ID C00014259 NAME Derriflavanone CAS_RN 146503-29-9 FORMULA C26H28O7 EXACTMASS 452.18350325 AVERAGEMASS 452.49631999999997 SMILES O(c31)C(c(c5)ccc(O)c5)CC(c(c(O)c(C=2)c(c3C(C(OC)4)OC4(C)C)OC(C)(C)C2)1)=O M END
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