Mol:FL1C1ANM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 23 0 0 0 0 0 0 0 0999 V2000 -2.3315 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 -0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2189 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2189 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 -0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4498 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5669 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5669 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2608 1.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 -1.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6887 0.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6887 0.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1886 1.6455 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 6 17 1 0 0 0 0 17 18 2 0 0 0 0 21 22 1 0 0 0 0 3 19 1 0 0 0 0 13 20 1 0 0 0 0 1 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -2.6887 0.7794 S SKP 8 ID FL1C1ANM0002 KNApSAcK_ID C00007039 NAME Neobavachalcone CAS_RN 65621-10-5 FORMULA C17H14O5 EXACTMASS 298.084123558 AVERAGEMASS 298.29006 SMILES O=Cc(c1)c(OC)cc(O)c1C(=O)C=Cc(c2)ccc(O)c2 M END