Mol:FL1DA9NR0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -3.9970 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2826 -1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5681 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5681 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2826 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7985 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 -1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 -1.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5681 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2731 1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5618 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2676 1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2983 -0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8543 -1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7222 -1.2930 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 16 17 1 0 0 0 0 12 18 1 0 0 0 0 14 19 1 0 0 0 0 20 15 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 24 26 1 0 0 0 0 21 27 1 1 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL1DA9NR0012 KNApSAcK_ID C00014611 NAME (-)-Linderatin; (1S-trans)-3-Phenyl-1-[2,4,6-trihydroxy-3-[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-propanone CAS_RN 196089-62-0 FORMULA C25H30O4 EXACTMASS 394.21440944799997 AVERAGEMASS 394.50329999999997 SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)CCc(c1)cccc1 M END