Mol:FL5FACGSS003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 3.3657 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6512 0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6512 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3657 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0801 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0801 0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2223 0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2223 -1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 -0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 -0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 -1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2223 -1.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 -1.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 1.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3657 2.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.8326 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0921 -1.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 -1.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1316 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 1.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9207 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 1.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 0.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 0.1351 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 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 4 22 1 0 0 0 0 19 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 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 18 1 0 0 0 0 S SKP 5 ID FL5FACGSS003 FORMULA C20H18O14S EXACTMASS 514.041725974 AVERAGEMASS 514.41452 SMILES c(c13)(cc(OC(O4)C(O)C(C(O)C4)O)cc1OC(=C(OS(O)(=O)=O)C3=O)c(c2)cc(c(O)c2)O)O M END