Mol:FL5FECNM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.8930 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6468 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2794 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4991 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6922 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 2.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 2.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3369 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 3.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9383 -0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 2.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3743 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3346 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4404 -1.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 -2.3088 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 8 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 16 25 1 0 0 0 0 25 26 1 0 0 0 0 1 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 27 28 M SBL 4 1 29 M SMT 4 OCH3 M SVB 4 29 -2.241 0.482 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 1.7479 1.7424 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 -2.5983 -0.6877 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 0.5403 -0.9854 S SKP 8 ID FL5FECNM0003 KNApSAcK_ID C00004903 NAME 8-C-Methylquercetagetin 3,6,7,3'-tetramethyl ether CAS_RN 140899-10-1 FORMULA C20H20O8 EXACTMASS 388.11581761599996 AVERAGEMASS 388.368 SMILES COc(c3OC)c(c(O1)c(c3O)C(C(=C1c(c2)cc(c(O)c2)OC)OC)=O)C M END
