Mol:FLNAFANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.2425 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5997 1.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 1.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0997 2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 0.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4039 -0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7229 -2.2383 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 1 0 0 0 0 11 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 11 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 10 21 1 0 0 0 0 21 22 1 0 0 0 0 14 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 25 M SMT 3 OCH3 M SVB 3 25 0.0084 -1.8258 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -1.1184 0.1489 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -1.5997 1.8937 S SKP 8 ID FLNAFANS0001 KNApSAcK_ID C00010203 NAME Exostemin;8-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin CAS_RN 16281-62-2 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(c1O)(OC)cc(c(C(c(c3)ccc(OC)c3)=2)c1OC(=O)C2)OC M END