Mol:FL5FAANSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.9630 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 -0.8121 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 -0.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 -1.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -0.8121 0.0000 O 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FL5FAANSS001 KNApSAcK_ID C00004945 NAME Kaempferol 3-O-sulfate CAS_RN 62369-24-8 FORMULA C15H10O9S EXACTMASS 366.00455260800004 AVERAGEMASS 366.30050000000006 SMILES Oc(c3)ccc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c(cc(O)c2)1 M END