Mol:FLNAFCNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.2425 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 1.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5997 1.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 -1.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0997 2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4485 -0.2048 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 14 19 1 0 0 0 0 15 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 10 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -1.163 0.2077 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 -1.5997 1.9267 S SKP 8 ID FLNAFCNS0002 KNApSAcK_ID C00010231 NAME 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin CAS_RN 123297-24-5 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c3)c(O)c(O2)c(c(OC)3)C(=CC(=O)2)c(c1)cc(O)c(O)c1 M END