Mol:FL1DBCNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 33 0 0 0 0 0 0 0 0999 V2000 2.6913 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6593 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0852 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0852 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2011 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6455 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -0.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0852 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 0.4249 0.0000 C 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 7 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 4 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 12 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 32 M SMT 1 OCH3 M SBV 1 32 -4.3287 4.9002 S SKP 8 ID FL1DBCNI0001 KNApSAcK_ID C00008021 NAME 3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone CAS_RN 122585-63-1 FORMULA C26H32O6 EXACTMASS 440.219888756 AVERAGEMASS 440.52867999999995 SMILES c(c2O)(c(OC)cc(c2CC=C(CCC=C(C)C)C)O)C(CCc(c1)cc(O)c(c1)O)=O M END
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