Mol:FL3FAENSS002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.0146 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0146 -1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5635 -1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5635 -0.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 -1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2103 -1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2103 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 -0.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 -1.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2406 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 -0.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2406 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4647 -0.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5635 -2.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6537 1.5023 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2812 1.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 2.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0356 1.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7502 0.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4647 -0.0388 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 2 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 18 21 1 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 -6.6960 3.5940 S SKP 8 ID FL3FAENSS002 KNApSAcK_ID C00004367 NAME Luteolin 4'-methyl ether 3'-sulfate CAS_RN 59176-63-5 FORMULA C16H12O9S EXACTMASS 380.020202672 AVERAGEMASS 380.32708 SMILES COc(c3)c(cc(c3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1)OS(O)(=O)=O M END