Mol:FL3FECNSS007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -0.9280 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 -0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 -0.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4252 -0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -0.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4252 0.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5969 -1.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3271 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3271 0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 -1.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2466 0.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 1.2183 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 1.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2686 1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6256 -1.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 -1.1536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 -0.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7628 -1.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 -1.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0483 1.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4691 2.5049 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 1 19 1 0 0 0 0 20 15 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 19 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 25 2 1 0 0 0 0 16 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 2.0483 1.5978 S SKP 8 ID FL3FECNSS007 KNApSAcK_ID C00004407 NAME 6-Hydroxyluteolin 3'-methyl ether 6,7-disulfate CAS_RN 111509-41-2 FORMULA C16H12O13S2 EXACTMASS 475.97193185000003 AVERAGEMASS 476.39068000000003 SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OS(O)(=O)=O)c1OS(O)(=O)=O M END