Mol:FL2FECNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.8175 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 0.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9638 0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 -0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9638 0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 -1.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 1.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3947 0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0336 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -0.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 -1.1391 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 3 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 6 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 29 M SMT 1 ^OCH3 M SBV 1 29 -8.2822 6.3302 S SKP 8 ID FL2FECNF0001 KNApSAcK_ID C00008312 NAME 5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone CAS_RN 78017-93-3 FORMULA C19H14O7 EXACTMASS 354.073952802 AVERAGEMASS 354.31026 SMILES c(c51)(OCO5)ccc(C(O2)CC(c(c4O)c2c(c(c4OC)3)cco3)=O)c1 M END