Mol:FL5FAAGS0069
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 1.1286 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 1.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 -0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 1.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0204 -0.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 2.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -0.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 -2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1378 -2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -1.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8725 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 -1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1254 -2.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4166 -0.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -2.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2189 -2.0112 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 5 20 1 0 0 0 0 16 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 26 28 1 0 0 0 0 27 29 1 0 0 0 0 22 30 1 0 0 0 0 25 19 1 0 0 0 0 S SKP 5 ID FL5FAAGS0069 FORMULA C20H18O10 EXACTMASS 418.089996796 AVERAGEMASS 418.35092 SMILES O(c32)C(c(c4)ccc(O)c4)=C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)O M END