Mol:FLNABENM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.0639 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5076 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5076 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1782 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1782 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7783 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7307 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1871 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -1.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5075 -0.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5074 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7783 1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 0.2439 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 10 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 -0.9466 0.462 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 0.1871 -1.5107 S SKP 8 ID FLNABENM0001 KNApSAcK_ID C00010244 NAME 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin CAS_RN 91377-14-9 FORMULA C18H14O7 EXACTMASS 342.073952802 AVERAGEMASS 342.29956000000004 SMILES c(c3C=O)(O)cc(c(c3OC)1)OC(=O)C=C(c(c2)cc(O)c(OC)c2)1 M END