Mol:FL5FACNSS002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.3430 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2304 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2304 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4383 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4383 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1391 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4383 -1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 0.2012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 -0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1391 0.2012 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 16 21 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 22 23 1 0 0 0 0 22 1 1 0 0 0 0 23 26 1 0 0 0 0 S SKP 8 ID FL5FACNSS002 KNApSAcK_ID C00004957 NAME Quercetin 7-O-sulfate CAS_RN - FORMULA C15H10O10S EXACTMASS 381.99946723 AVERAGEMASS 382.2999 SMILES Oc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(c2)OS(O)(=O)=O)1 M END