Mol:FL3FACNI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.1300 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -0.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 7 11 2 0 0 0 0 9 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 1 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 15 24 1 0 0 0 0 3 25 1 0 0 0 0 16 26 1 0 0 0 0 S SKP 8 ID FL3FACNI0002 KNApSAcK_ID C00004096 NAME Demethyltorosaflavone D CAS_RN 145194-16-7 FORMULA C18H12O8 EXACTMASS 356.05321735999996 AVERAGEMASS 356.28308 SMILES O(C(c(c3)cc(O)c(O)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)C=CC(O)=O)O M END
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