Mol:FL1DA9NM0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 23 0 0 0 0 0 0 0 0999 V2000 -1.6228 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 1.2070 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 3 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 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 8 17 2 0 0 0 0 1 18 1 0 0 0 0 5 19 1 0 0 0 0 2 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 2 0 0 0 0 S SKP 8 ID FL1DA9NM0003 KNApSAcK_ID C00007996 NAME 3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone CAS_RN 133034-13-6 FORMULA C17H16O5 EXACTMASS 300.099773622 AVERAGEMASS 300.30593999999996 SMILES O=Cc(c(O)1)c(O)c(C(=O)CCc(c2)cccc2)c(O)c(C)1 M END
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