Mol:FL3FEANSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -0.6592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5171 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9776 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 2.0625 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 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 18 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 S SKP 8 ID FL3FEANSS001 KNApSAcK_ID C00010272 NAME Hispidulin 7-sulfate CAS_RN 110209-96-6 FORMULA C16H12O9S EXACTMASS 380.020202672 AVERAGEMASS 380.32708 SMILES COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)ccc(O)c3)1)OS(O)(=O)=O M END