Mol:FL1C1ANM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 23 0 0 0 0 0 0 0 0999 V2000 -2.2321 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -1.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1614 1.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 0.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1122 -0.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3977 -1.4105 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 6 17 1 0 0 0 0 17 18 2 0 0 0 0 21 22 1 0 0 0 0 1 19 1 0 0 0 0 13 20 1 0 0 0 0 3 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -2.1122 -0.998 S SKP 8 ID FL1C1ANM0001 KNApSAcK_ID C00007038 NAME Isoneobavachalcone CAS_RN 76444-57-0 FORMULA C17H14O5 EXACTMASS 298.084123558 AVERAGEMASS 298.29006 SMILES O=Cc(c1)c(O)cc(OC)c1C(=O)C=Cc(c2)ccc(O)c2 M END