Mol:FL5FCCNSS004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 37 0 0 0 0 0 0 0 0999 V2000 1.4671 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 1.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 0.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3908 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3908 -0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 -0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1052 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8197 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8197 -0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1052 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 -1.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5342 0.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 -1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1052 -1.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 1.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 -0.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2303 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -0.0045 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 0.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 -0.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 0.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 -1.7573 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 -2.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 1.8203 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2303 1.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 2.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 1.2107 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 21 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 32 35 2 0 0 0 0 22 6 1 0 0 0 0 S SKP 8 ID FL5FCCNSS004 KNApSAcK_ID C00013910 NAME Quercetin 7-methyl ether 3,3',4'-trisulfate;Rhamnetin 3,3',4'-trisulfate;2-[3,4-Bis(sulfooxy)phenyl]-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one CAS_RN 116353-84-5 FORMULA C16H12O16S3 EXACTMASS 555.928746406 AVERAGEMASS 556.45488 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(OS(O)(=O)=O)c(c2)OS(O)(=O)=O M END