Mol:FL5FACNSS001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.9626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 -1.0981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 1.7816 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 20 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 21 23 1 0 0 0 0 8 22 1 0 0 0 0 16 26 1 0 0 0 0 S SKP 8 ID FL5FACNSS001 KNApSAcK_ID C00004956 NAME Quercetin 3-O-sulfate CAS_RN 60889-05-6 FORMULA C15H10O10S EXACTMASS 381.99946723 AVERAGEMASS 382.2999 SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2 M END
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