Mol:FL5FCCNSS003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 1.5065 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7921 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7921 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6369 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3514 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3514 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6369 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0658 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7803 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7803 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0658 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6369 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4948 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7921 -0.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0658 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9355 2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9834 0.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1909 0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5818 0.2619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5805 -0.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5831 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7921 -1.4423 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3319 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7921 -2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 18 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 2 0 0 0 0 19 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 22 6 1 0 0 0 0 S SKP 8 ID FL5FCCNSS003 KNApSAcK_ID C00013909 NAME Quercetin 7-methyl ether 3,3'-disulfate;Rhamnetin 3,3'-disulfate;5-Hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one CAS_RN 116353-78-7 FORMULA C16H12O13S2 EXACTMASS 475.97193185000003 AVERAGEMASS 476.39068000000003 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(c(O)c2)OS(O)(=O)=O M END
</pre>