Mol:FL3FAENSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.3996 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4232 0.1167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4232 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0797 0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4232 -0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3652 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 0.5763 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 16 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SBV 1 27 -9.3811 4.6834 S SKP 8 ID FL3FAENSS001 KNApSAcK_ID C00004366 NAME Luteolin 4'-methyl ether 7-sulfate CAS_RN 60048-91-1 FORMULA C16H12O9S EXACTMASS 380.020202672 AVERAGEMASS 380.32708 SMILES COc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O M END