Mol:FL1C9ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 18 19 0 0 0 0 0 0 0 0999 V2000 -2.2321 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 0.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 0.8970 0.0000 O 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 13 18 1 0 0 0 0 S SKP 8 ID FL1C9ANS0001 KNApSAcK_ID C00006919 NAME 4,4'-Dihydroxychalcone CAS_RN 3600-61-1 FORMULA C15H12O3 EXACTMASS 240.07864425 AVERAGEMASS 240.25398 SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)ccc(O)c1 M END