Mol:FL3FRNNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.0717 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5007 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -2.4750 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 1 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 2 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 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 11 1 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 13 19 1 0 0 0 0 20 6 1 0 0 0 0 4 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 23 12 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 S SKP 8 ID FL3FRNNP0001 KNApSAcK_ID C00013439 NAME (+)-Cyclochampedol;Cyclochampedol;(+)-2,3,8,10-Tetrahydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one CAS_RN 180845-64-1 FORMULA C20H16O7 EXACTMASS 368.089602866 AVERAGEMASS 368.33684000000005 SMILES c(c1O)(O)c(O4)c(C(O3)=C(C4C=C(C)C)C(=O)c(c32)c(cc(O)c2)O)cc1 M END