Mol:FL3FECGS0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 4.0411 1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 1.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3266 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 0.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3266 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 -2.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 -2.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1757 1.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 -0.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1845 -1.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6359 2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 1.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4253 1.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 1.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0444 2.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8427 1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 1.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7987 1.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1757 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0783 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6658 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8677 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0744 0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4869 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2851 0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8531 1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9795 1.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6013 0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2368 0.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 -0.2630 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 15 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 23 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 18 1 0 0 0 0 26 39 1 0 0 0 0 S SKP 5 ID FL3FECGS0044 FORMULA C26H28O16 EXACTMASS 596.137734848 AVERAGEMASS 596.49092 SMILES C(C5O)(C(OC(C5O)COC(O4)C(O)C(C(O)C4)O)Oc(c1)c(O)c(O)c(C2=O)c(OC(c(c3)ccc(c3O)O)=C2)1)O M END