Mol:FL2FQUNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.4197 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.0738 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7507 0.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -1.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -0.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 1.4109 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 1 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 1 0 0 0 0 16 11 2 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 12 19 2 0 0 0 0 15 20 2 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.7769 0.5449 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 2.0624 1.2292 S SKP 8 ID FL2FQUNS0001 KNApSAcK_ID C00008365 NAME Remerin CAS_RN 41093-65-6 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)c(=O)cc(OC)c(=O)2 M END