Mol:FL3FFAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.3877 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3877 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3134 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0145 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0145 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3134 0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4166 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4166 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 0.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3134 -1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6876 1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3317 0.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9603 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2254 -0.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1671 0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8881 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8138 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6876 0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0809 -0.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4151 -0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3134 1.2914 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 18 3 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 20 1 0 0 0 0 6 30 1 0 0 0 0 S SKP 5 ID FL3FFAGS0001 FORMULA C20H18O10 EXACTMASS 418.089996796 AVERAGEMASS 418.35092 SMILES C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3)C(O)C(C(O)C1)O M END