Mol:FL5FACNSS003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.6400 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9711 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9711 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9711 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1413 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2753 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2753 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1413 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8421 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1413 -0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1556 0.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 0.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 0.1985 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 0.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 -0.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 0.1985 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 21 1 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 23 26 1 0 0 0 0 26 14 1 0 0 0 0 S SKP 8 ID FL5FACNSS003 KNApSAcK_ID C00004958 NAME Quercetin 3'-O-sulfate CAS_RN 62369-28-2 FORMULA C15H10O10S EXACTMASS 381.99946723 AVERAGEMASS 382.2999 SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(c(O)c2)OS(O)(=O)=O M END
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