Mol:FL1DA9NR0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -0.9991 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9991 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 0.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9418 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1747 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9418 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 -0.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7109 0.2350 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 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 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 8 17 2 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 2 1 0 0 0 0 21 24 1 0 0 0 0 S SKP 8 ID FL1DA9NR0003 KNApSAcK_ID C00008004 NAME 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone CAS_RN 70056-37-0 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES CC(C3)=CCc(c(O3)1)c(c(C(=O)CCc(c2)cccc2)c(O)c1)O M END