Mol:FL1DA9NC0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -0.8360 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -1.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -1.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 -1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -1.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 -0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 -2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2879 0.8580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8595 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8595 1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -0.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 0.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0182 1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5565 0.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3201 2.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 -0.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 -1.6906 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 18 19 1 0 0 0 0 19 20 2 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 24 2 0 0 0 0 24 19 1 0 0 0 0 18 6 1 0 0 0 0 5 25 1 0 0 0 0 26 27 2 0 0 0 0 27 18 1 0 0 0 0 26 28 1 0 0 0 0 23 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 20 33 1 0 0 0 0 26 34 1 0 0 0 0 1 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 35 36 M SBL 2 1 37 M SMT 2 OCH3 M SVB 2 37 -1.1932 0.0945 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 32 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 -3.0182 1.188 S SKP 8 ID FL1DA9NC0008 KNApSAcK_ID C00007971 NAME Piperaduncin A CAS_RN 155023-54-4 FORMULA C29H30O7 EXACTMASS 490.199153314 AVERAGEMASS 490.5443 SMILES Oc(c2)c(c(c(C(C=C(C)C)c(c3)c(O)ccc3C(=O)OC)c2OC)O)C(=O)CCc(c1)cccc1 M END