Mol:FL5FAAGA0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -4.6681 -0.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6681 -1.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9671 -1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 -1.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 -0.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9671 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 -1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 -1.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 -0.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 -2.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2657 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2657 0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9671 -2.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3689 0.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 1.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0212 -1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3906 -1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0978 -1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -1.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2753 -1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3358 -1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 -1.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8285 -0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 -0.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3717 2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8831 1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 1.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7677 1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3168 1.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5276 1.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 1.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 -2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3689 0.7742 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 21 1 0 0 0 0 31 32 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 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 32 20 1 0 0 0 0 40 41 1 0 0 0 0 25 40 1 0 0 0 0 42 43 1 0 0 0 0 34 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 CH2OH M SBV 1 45 -0.8388 -0.1151 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 CH2OH M SBV 2 47 -0.7008 -0.0478 S SKP 5 ID FL5FAAGA0012 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(OC(O5)C(O)C(O)C(O)C5CO)c4)3)OC(C(O)2)OC(C(C(O)2)O)CO)=O)c(O)cc(O)1 M END