Mol:FL3FG9NS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -0.6964 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3363 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6078 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2394 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0098 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1342 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8936 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2475 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1112 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2671 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.8071 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -2.3149 -0.3996 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -0.766 1.0455 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -1.9576 0.77 S SKP 8 ID FL3FG9NS0003 KNApSAcK_ID C00003831 NAME Alnetin CAS_RN 3151-82-4 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES O(C=2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O M END