Mol:FL3FACGS0057
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 0.8540 0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 -0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7562 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7562 0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 0.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -0.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5689 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0286 0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0286 1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5689 1.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3345 0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 -0.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 1.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5689 2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0681 0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 0.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6091 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 0.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8882 0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 0.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8719 0.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 -0.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 -1.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8312 -1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3156 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 -1.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8566 -1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 -0.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 -2.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7324 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 -0.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 -0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 -0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 0.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4326 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1837 1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4693 1.0871 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 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 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 34 38 1 0 0 0 0 31 32 1 0 0 0 0 35 30 1 0 0 0 0 25 18 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 33 44 1 0 0 0 0 27 45 1 0 0 0 0 45 46 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 45 46 M SBL 1 1 49 M SMT 1 ^CH2OH M SBV 1 49 -5.9507 7.0478 S SKP 8 ID FL3FACGS0057 KNApSAcK_ID C00004318 NAME Luteolin 7-(6'''-acetylallosyl-(1->2)-glucoside) CAS_RN 135649-96-6 FORMULA C29H32O17 EXACTMASS 652.163949598 AVERAGEMASS 652.55418 SMILES O(CC(O1)C(C(C(C1OC(C5O)C(OC(C5O)CO)Oc(c2)cc(O3)c(C(C=C(c(c4)ccc(O)c4O)3)=O)c2O)O)O)O)C(C)=O M END