Mol:FL2F39NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.7790 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1101 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6361 1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5082 1.8960 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -0.9447 0.9963 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -2.1362 0.7209 S SKP 8 ID FL2F39NS0002 KNApSAcK_ID C00008130 NAME 7,8-Dimethoxyflavanone CAS_RN 73413-67-9 FORMULA C17H16O4 EXACTMASS 284.104859 AVERAGEMASS 284.30654 SMILES COc(c3)c(OC)c(O1)c(c3)C(=O)CC(c(c2)cccc2)1 M END