Mol:FL3FACCS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.2892 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5687 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5687 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2828 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7392 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7392 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2828 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7915 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6283 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 -0.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0479 -1.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4672 -1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 -1.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 2.2881 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 15 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 2 1 0 0 0 0 1 29 1 0 0 0 0 16 30 1 0 0 0 0 S SKP 5 ID FL3FACCS0003 FORMULA C20H18O10 EXACTMASS 418.089996796 AVERAGEMASS 418.35092 SMILES C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)C(O)C1O M END