Mol:FL1CA9NP0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6131 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.1278 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 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 1 17 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 3 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 S SKP 8 ID FL1CA9NP0012 KNApSAcK_ID C00014448 NAME 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone CAS_RN 140158-54-9 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c2)c(c(O3)c(CC(C3(C)C)O)c(O)2)C(=O)C=Cc(c1)cccc1 M END