Mol:FL1DECNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -2.1824 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5206 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5832 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5206 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7908 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7908 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3515 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 2 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 13 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 5 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 -0.5206 0.6731 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -1.3515 1.2456 S SKP 8 ID FL1DECNF0001 KNApSAcK_ID C00007962 NAME 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon CAS_RN 77985-80-9 FORMULA C20H18O7 EXACTMASS 370.10525293 AVERAGEMASS 370.35272 SMILES c(c34)cc(cc3OCO4)CCC(=O)c(c1O)c(c(c(o2)c(cc2)1)OC)OC M END