Mol:FL3FCCGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.4139 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4883 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4883 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3904 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3904 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -0.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 1.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6372 -0.9781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1215 -1.6587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3790 -1.3699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6626 -1.3622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1832 -0.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8328 -1.1843 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3510 -1.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9253 -1.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9536 -2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9898 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 1.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 1.9815 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 3 18 1 0 0 0 0 16 19 1 0 0 0 0 20 15 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 18 24 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 1 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 30 31 M SBL 2 1 33 M SMT 2 CH2OH M SVB 2 33 -2.0349 -0.29 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 -0.7711 1.1155 S SKP 8 ID FL3FCCGS0001 KNApSAcK_ID C00004333 NAME Luteolin 7-methyl ether 5-glucoside CAS_RN 83133-14-6 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES O(c(c32)cc(OC)cc2OC(c(c4)ccc(c4O)O)=CC3=O)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O M END