Mol:FL1C2CNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.2339 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5474 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -1.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2224 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -0.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2224 -0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 0.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 -1.2499 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 2 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 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 2 1 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 13 1 0 0 0 0 6 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 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 SBV 1 27 -6.2962 3.4055 S SKP 8 ID FL1C2CNF0001 KNApSAcK_ID C00007025 NAME 5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone CAS_RN 61755-70-2 FORMULA C19H14O6 EXACTMASS 338.07903818 AVERAGEMASS 338.31086000000005 SMILES c(O4)(c1)c(OC4)ccc(C=CC(c(c3OC)cc(c(c32)occ2)O)=O)1 M END