Mol:FL2FALNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.4197 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.0290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7507 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 1 2 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 5 1 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 7 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 26 M SMT 4 OCH3 M SVB 4 26 -2.2998 -1.153 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 2.0624 1.274 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -2.7769 0.5898 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 0.0044 1.5655 S SKP 8 ID FL2FALNS0002 KNApSAcK_ID C00008356 NAME Arjunone CAS_RN 56317-22-7 FORMULA C19H20O6 EXACTMASS 344.125988372 AVERAGEMASS 344.3585 SMILES O(C(c(c(OC)3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(OC)cc1OC M END