Mol:FL5FAGGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -3.0623 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -2.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7634 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -1.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3893 -1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 -1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 -1.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1032 -0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -0.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 -0.2297 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 1 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 14 32 1 0 0 0 0 S SKP 5 ID FL5FAGGS0002 FORMULA C20H18O12 EXACTMASS 450.07982604 AVERAGEMASS 450.34972 SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 M END