Mol:FL3FEGGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.5269 1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1248 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1248 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5777 -0.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4072 1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4072 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 2.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 1.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 2.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 3.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 1.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2821 -0.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3251 -2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 -2.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5001 -2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 -2.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 -2.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6397 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9798 -3.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -3.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 1 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 14 22 1 0 0 0 0 2 23 1 0 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 29 24 1 1 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 29 32 1 0 0 0 0 24 33 1 0 0 0 0 25 18 1 0 0 0 0 S SKP 5 ID FL3FEGGS0001 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES c(C(=O)3)(c2OC(c(c4)cc(O)c(O)c(O)4)=C3)c(c(O)c(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 M END