Mol:FLIAAANF0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -2.3368 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3368 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 -0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8651 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5532 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 0.1983 0.0000 O 0 0 0 0 0 0 0 0 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 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 11 2 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 7 18 2 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 3 26 1 0 0 0 0 S SKP 8 ID FLIAAANF0002 KNApSAcK_ID C00009832 NAME Lupinisoflavone C CAS_RN 93373-47-8 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c4)(c(cc(c4)C(C(=O)2)=COc(c3)c2c(cc(O)3)O)1)OC(C1)C(C)(C)O M END
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