Mol:FL1DHXNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 22 0 0 0 0 0 0 0 0999 V2000 -2.5457 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5457 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4377 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4377 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8467 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8467 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0994 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 0.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 0.5184 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 4 7 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 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 8 19 1 6 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 21 M SMT 1 OCH3 M SBV 1 21 -6.3140 3.7347 S SKP 8 ID FL1DHXNS0004 KNApSAcK_ID C00007948 NAME 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone CAS_RN 114107-24-3 FORMULA C16H16O5 EXACTMASS 288.099773622 AVERAGEMASS 288.29524 SMILES COc(c2)ccc(c2)CC(O)C(=O)c(c1)c(O)cc(O)c1 M END