Mol:FL3FACCS0049
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 2.2580 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9725 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9725 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7899 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7899 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0245 0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -1.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7899 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2983 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 0.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1515 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1478 -1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5602 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 -0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9623 0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5051 -1.4034 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 17 1 0 0 0 0 16 18 1 0 0 0 0 11 19 2 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 15 1 0 0 0 0 S SKP 5 ID FL3FACCS0049 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