Mol:FL3FAEGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 42 0 0 0 0 0 0 0 0999 V2000 0.4783 -0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 -0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 -0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -0.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 0.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0282 -0.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 -1.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8357 -0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3817 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4122 -0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 -1.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 -1.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 -0.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 0.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1078 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3325 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9576 0.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3325 1.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1078 1.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 0.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9576 0.4261 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 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 26 30 1 0 0 0 0 24 19 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 32 37 2 0 0 0 0 15 38 1 0 0 0 0 38 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 41 M SMT 1 OCH3 M SBV 1 41 -7.5032 4.5332 S SKP 8 ID FL3FAEGS0008 KNApSAcK_ID C00004364 NAME Luteolin 4'-methyl ether 7-(6''-malonylglucoside) CAS_RN 98767-39-6 FORMULA C25H24O14 EXACTMASS 548.116605476 AVERAGEMASS 548.44966 SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C4O)O)Oc(c3)cc(c1c(O)3)OC(c(c2)cc(c(c2)OC)O)=CC1=O M END