Mol:FL5FACGSS004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 1.1673 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 2.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1195 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1195 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 -0.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3374 -0.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -1.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4737 2.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1736 0.9246 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1767 0.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1704 1.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1451 -1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 -2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7642 -1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 -1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3468 -1.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 -2.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 -2.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1187 -1.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 -1.4740 0.0000 C 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 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 28 35 1 0 0 0 0 27 36 1 0 0 0 0 31 19 1 0 0 0 0 22 6 1 0 0 0 0 S SKP 5 ID FL5FACGSS004 FORMULA C21H20O14S EXACTMASS 528.057376038 AVERAGEMASS 528.4411 SMILES C(=C3OC(O4)C(O)C(O)C(O)C(C)4)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(c(c1)O)OS(O)(=O)=O M END