Mol:FL3FECGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.6281 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6281 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 0.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 -0.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 2.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1367 1.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5602 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0446 -1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -1.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1062 -0.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8647 -1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 -1.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8484 -1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8766 -2.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 -0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1602 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.8732 0.0000 O 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 20 1 0 0 0 0 2 31 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 ^CH2OH M SBV 1 35 -9.1241 5.4381 S SKP 8 ID FL3FECGS0002 KNApSAcK_ID C00004377 NAME 6-Hydroxyluteolin 5-glucoside CAS_RN 80007-06-3 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES C(C1Oc(c42)c(O)c(O)cc2OC(=CC4=O)c(c3)cc(c(O)c3)O)(O)C(O)C(O)C(O1)CO M END