Mol:FL3F1GGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0741 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0741 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -2.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -2.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 -0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 0.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8815 -0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8696 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8298 2.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3705 2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 2.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2526 1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6518 -0.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 1.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 -0.8814 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 18 15 1 0 0 0 0 19 1 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 20 1 1 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 20 29 1 0 0 0 0 21 19 1 0 0 0 0 16 30 1 0 0 0 0 14 31 1 0 0 0 0 S SKP 5 ID FL3F1GGS0001 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES C(O1)(Oc(c4)cc(c(c4)2)OC(c(c3)cc(O)c(O)c(O)3)=CC2=O)C(O)C(O)C(O)C(C)1 M END