Mol:FL3FECNSS005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.0165 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 -0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6633 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6633 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4916 -1.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2387 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2387 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 -2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 -0.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6863 1.5661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2021 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6863 2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7309 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 0.3286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 0.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5938 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 -0.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 -1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7088 -1.0094 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 3 19 1 0 0 0 0 1 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 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 28 15 1 0 0 0 0 2 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 -2.7309 -1.2183 S SKP 8 ID FL3FECNSS005 KNApSAcK_ID C00004402 NAME 6-Methoxyluteolin 3',4'-disulfate CAS_RN 111509-40-1 FORMULA C16H12O13S2 EXACTMASS 475.97193185000003 AVERAGEMASS 476.39068000000003 SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)cc(OS(O)(=O)=O)c(c1)OS(O)(=O)=O M END