Mol:FL3FAACS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -0.9916 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -1.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0859 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0859 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -0.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 -1.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 -0.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5167 -0.1884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6717 -1.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0678 -0.6165 0.0000 C 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 2 23 1 0 0 0 0 1 28 1 0 0 0 0 25 29 1 0 0 0 0 S SKP 8 ID FL3FAACS0009 KNApSAcK_ID C00006100 NAME Torosaflavone A CAS_RN 124961-70-2 FORMULA C21H20O8 EXACTMASS 400.11581761599996 AVERAGEMASS 400.3787 SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(O)c(c(O)3)C(C2)OC(C)C(O)C(O)2)c1 M END