Mol:FLNAALNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.3974 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3972 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8447 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8447 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4448 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7546 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 -0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1117 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0849 1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 0.5227 0.0000 O 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 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 10 18 1 0 0 0 0 14 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 9 24 1 0 0 0 0 24 25 2 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 1.3972 -0.1843 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -1.7546 2.099 S SKP 8 ID FLNAALNM0001 KNApSAcK_ID C00010207 NAME Sisafolin;5,4'-Dihydroxy-7,2'-dimethoxy-6-formyl-4-phenylcoumarin CAS_RN 53290-13-2 FORMULA C18H14O7 EXACTMASS 342.073952802 AVERAGEMASS 342.29956000000004 SMILES c(c(C(c32)=CC(=O)Oc2cc(c(c3O)C=O)OC)1)(OC)cc(O)cc1 M END