Mol:FL1C19NI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 -1.6706 0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 -0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1107 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6668 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 1.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6668 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 1.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 -0.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7888 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7888 -1.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5512 0.3519 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 3 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 19 23 1 0 0 0 0 S SKP 8 ID FL1C19NI0002 KNApSAcK_ID C00007046 NAME 2',4'-Dihydroxy-3'-(1,1-dimethyl-2-propenyl)chalcone CAS_RN 57621-12-2 FORMULA C20H20O3 EXACTMASS 308.141244506 AVERAGEMASS 308.371 SMILES C=CC(C)(C)c(c1O)c(ccc1C(=O)C=Cc(c2)cccc2)O M END