Mol:FL5FFCNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.0624 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 1.3088 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 16 21 1 0 0 0 0 15 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 -2.4197 0.4428 S SKP 8 ID FL5FFCNS0003 KNApSAcK_ID C00004723 NAME Ranupetin CAS_RN 18799-01-4 FORMULA C16H12O8 EXACTMASS 332.05321735999996 AVERAGEMASS 332.26168 SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(O)c2 M END