Mol:FL5FFAGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.9921 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 -2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 -0.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 -2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 -0.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 -3.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 -0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -2.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 -3.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6582 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8126 2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 1.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5663 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4821 2.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6582 2.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9405 0.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9395 3.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3502 2.3008 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 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 6 31 1 0 0 0 0 31 25 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 27 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 32 33 34 M SBL 1 1 37 M SMT 1 COOH M SBV 1 37 -0.1566 -0.6636 S SKP 5 ID FL5FFAGS0008 FORMULA C21H18O13 EXACTMASS 478.07474066199995 AVERAGEMASS 478.35982 SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)2)OC(=C(C2=O)O)c(c1)ccc(O)c1)O)O M END