Mol:FL3FGCNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.6513 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3798 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3715 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5199 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2663 1.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3859 1.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 2.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1675 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 1.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -0.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 -1.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 2.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 2.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 2.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0936 -0.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 1.9206 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -1.4067 0.7182 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 -2.9555 -0.7269 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 2.241 1.127 S SKP 8 ID FL3FGCNS0006 KNApSAcK_ID C00003930 NAME Acerosin;3',5,7-Trihydroxy-4',6,8-trimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one CAS_RN 15835-74-2 FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES O(C(c(c3)cc(O)c(OC)c3)=2)c(c1OC)c(C(=O)C2)c(c(c1O)OC)O M END