Mol:FL1CEANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 25 0 0 0 0 0 0 0 0999 V2000 -2.3315 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2189 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2189 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4498 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5669 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5669 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6887 0.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0607 2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2116 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6887 0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1887 1.8059 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 13 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -2.6887 0.9399 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -2.2116 -0.8029 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -1.4972 1.2154 S SKP 8 ID FL1CEANS0002 KNApSAcK_ID C00006980 NAME 4,2'-Dihydroxy-3',4',6'-trimethoxychalcone CAS_RN 69616-74-6 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES c(c2OC)(OC)cc(c(c2O)C(=O)C=Cc(c1)ccc(O)c1)OC M END