Mol:FL4DALNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.0919 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5711 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0502 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0502 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5711 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0919 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9916 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9916 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0463 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0463 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1142 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5711 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0913 1.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0175 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6569 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1142 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1102 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 8 18 1 1 0 0 0 15 19 1 0 0 0 0 2 20 1 0 0 0 0 17 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 23 25 1 6 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 S SKP 8 ID FL4DALNF0001 KNApSAcK_ID C00008625 NAME Shuterone A CAS_RN 105377-66-0 FORMULA C20H18O7 EXACTMASS 370.10525293 AVERAGEMASS 370.35272 SMILES c(c1O)c(O)ccc1C(O2)C(C(c(c(O)3)c2cc(O4)c3CC4C(C)=C)=O)O M END