Mol:FL1DA9NC0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.0724 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2157 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2157 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9303 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9303 3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 2.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 -0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 1.0314 0.0000 O 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 5 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 2 0 0 0 0 1 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 4 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 24 33 2 0 0 0 0 S SKP 8 ID FL1DA9NC0013 KNApSAcK_ID C00014613 NAME Longicaudatin CAS_RN 342882-02-4 FORMULA C26H22O7 EXACTMASS 446.136553058 AVERAGEMASS 446.44867999999997 SMILES C(c(c4)cccc4)CC(=O)c(c3O)c(o1)c(c(c3)OC)cc1c(c2)c(ccc(C(=O)OC)2)O M END