Mol:FL5FFANS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.1526 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 15 25 1 0 0 0 0 S SKP 8 ID FL5FFANS0017 KNApSAcK_ID C00004922 NAME Herbacetin 8-acetate CAS_RN 83677-10-5 FORMULA C17H12O8 EXACTMASS 344.05321735999996 AVERAGEMASS 344.27238 SMILES CC(=O)Oc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)=C(c(c2)ccc(O)c2)1 M END