Mol:FL1DA9NC0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.5308 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 -1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8617 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8617 -0.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 -0.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 -1.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 -1.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 -0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2102 0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7822 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7822 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2102 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2102 -1.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2102 0.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 1.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 -0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8454 -0.4159 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 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 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 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 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 25 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 29 34 1 0 0 0 0 5 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 1 38 M SMT 1 OCH3 M SBV 1 38 -4.2836 2.7809 S SKP 8 ID FL1DA9NC0005 KNApSAcK_ID C00007964 NAME Angoluvarin CAS_RN 110874-65-2 FORMULA C30H28O6 EXACTMASS 484.188588628 AVERAGEMASS 484.53972000000005 SMILES c(c4)(cccc4)CCC(=O)c(c(O)1)c(cc(O)c1Cc(c2O)cc(Cc(c3O)cccc3)cc2)OC M END