Mol:FL3FAEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.3173 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1337 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5848 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5848 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1337 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4869 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4869 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1337 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 0.0732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9325 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1900 -0.3186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4736 -0.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9942 0.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 -0.1330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1619 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7363 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4475 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1619 0.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8019 1.0663 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 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 24 19 1 0 0 0 0 15 30 1 0 0 0 0 30 31 1 0 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 CH2OH M SVB 2 35 -2.8471 0.769 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 3.4475 0.9888 S SKP 8 ID FL3FAEGS0001 KNApSAcK_ID C00004357 NAME Luteolin 4'-methyl ether 7-glucoside CAS_RN 20126-59-4 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)OC)=CC2=O)CO)O)O M END