Mol:FL5FA9GSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 1.4289 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7492 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -0.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 -1.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1409 -2.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -2.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 -2.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.2299 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 2.2299 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 16 19 1 0 0 0 0 12 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 20 24 1 0 0 0 0 13 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 S SKP 8 ID FL5FA9GSS001 KNApSAcK_ID C00013731 NAME 3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid CAS_RN 776278-57-0 FORMULA C21H20O13S EXACTMASS 512.062461416 AVERAGEMASS 512.4417 SMILES C(C(OC(=C(c(c4)cccc4)3)C(c(c(O)2)c(O3)c(c(O)c2)S(O)(=O)=O)=O)1)(O)C(O)C(O)C(O1)CO M END