Mol:FL5FACGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -3.6108 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6108 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5071 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8058 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8058 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5071 0.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5071 -1.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 1.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 1.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3117 0.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 -1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -1.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7252 -1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 -0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -1.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6237 -1.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 -0.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -0.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0389 1.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 -1.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 2.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 -0.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 -2.4226 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 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 23 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 -1.0665 -0.2531 S SKP 5 ID FL5FACGS0007 FORMULA C21H18O13 EXACTMASS 478.07474066199995 AVERAGEMASS 478.35982 SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)O1)O)O M END