Mol:FL2FGANS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.0211 -1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 -1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8734 -1.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2863 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0666 -2.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9189 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3318 -1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1121 -2.5371 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4795 -2.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5249 -3.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1696 -2.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5904 -3.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3665 -4.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7217 -4.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3009 -3.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1049 -0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7872 -4.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5997 -4.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 -2.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -3.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 -2.2353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 -2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 -1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -0.8563 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 3 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 6 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 2 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 -2.9555 -0.4488 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 -2.5983 0.7209 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 -1.4682 0.9608 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 2.241 1.4051 S SKP 8 ID FL2FGANS0003 KNApSAcK_ID C00008276 NAME 5-Hydroxy-6,7,8,4'-tetramethoxyflavanone CAS_RN 75917-10-1 FORMULA C19H20O7 EXACTMASS 360.120902994 AVERAGEMASS 360.3579 SMILES c(C(O2)CC(c(c3O)c2c(c(c3OC)OC)OC)=O)(c1)ccc(OC)c1 M END
