Mol:FL3FEANSS002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.1270 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2703 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2703 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9848 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9848 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 1.8562 0.0000 S 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 2 1 0 0 0 0 7 12 2 0 0 0 0 12 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 7 1 0 0 0 0 3 17 2 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 14 21 1 0 0 0 0 19 22 1 0 0 0 0 26 23 2 0 0 0 0 26 24 2 0 0 0 0 26 25 1 0 0 0 0 21 26 1 0 0 0 0 S SKP 8 ID FL3FEANSS002 KNApSAcK_ID C00010273 NAME Hispidulin 4'-sulfate CAS_RN 111534-78-2 FORMULA C16H12O9S EXACTMASS 380.020202672 AVERAGEMASS 380.32708 SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)ccc(c1)OS(O)(=O)=O M END
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