Mol:FL2FALNI0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.2001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6374 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 -0.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 -0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0466 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7205 0.5128 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 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 2 18 1 0 0 0 0 6 19 1 0 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 17 27 1 0 0 0 0 27 28 1 0 0 0 0 15 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 29 30 M SBL 3 1 31 M SMT 3 OCH3 M SVB 3 31 2.006 0.9253 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 0.0466 1.2361 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 0.4904 -0.4622 S SKP 8 ID FL2FALNI0017 KNApSAcK_ID C00008503 NAME Heteroflavanone C CAS_RN 156127-36-5 FORMULA C23H26O7 EXACTMASS 414.167853186 AVERAGEMASS 414.44834000000003 SMILES C(Cc(c31)c(cc(c(C(=O)CC(O3)c(c(OC)2)c(OC)cc(c2)OC)1)O)O)=C(C)C M END