Mol:FL3FECNSS004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.2843 -0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8332 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8332 0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 0.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2406 -1.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 -0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8903 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8903 0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4805 0.9212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8332 -1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 0.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 0.9267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2832 0.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 0.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -0.3700 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 19 15 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 1 21 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -1.9988 -0.5789 S SKP 8 ID FL3FECNSS004 KNApSAcK_ID C00004401 NAME 6-Methoxyluteolin 7-sulfate CAS_RN 111534-77-1 FORMULA C16H12O10S EXACTMASS 396.015117294 AVERAGEMASS 396.32648000000006 SMILES COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)cc(O)c(O)c3)1)OS(O)(=O)=O M END