Mol:FL3FRNNR0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.0559 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8067 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -1.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5157 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5129 1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8005 1.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0915 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -1.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -2.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2273 1.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -0.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 -1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 1.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 2.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9174 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2273 -0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 7 1 0 0 0 0 8 5 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 10 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 11 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 S SKP 8 ID FL3FRNNR0004 KNApSAcK_ID C00013500 NAME Artelastin;3,8,10-Trihydroxy-9,11-bis(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one CAS_RN 182052-05-7 FORMULA C30H32O6 EXACTMASS 488.219888756 AVERAGEMASS 488.57148 SMILES C(=C41)(C(c(c3O4)c(c(CC=C(C)C)c(c(CC=C(C)C)3)O)O)=O)C(Oc(c2)c1ccc2O)C=C(C)C M END