Mol:FL5FCAGS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 61 67 0 0 0 0 0 0 0 0999 V2000 1.4949 4.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2093 3.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 4.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2093 4.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7804 3.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 3.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6485 3.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6485 2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 1.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7804 2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 3.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 1.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 1.1246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 4.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 1.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0192 -0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 0.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0982 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4587 -0.5666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -1.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7198 -1.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0575 0.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 -2.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5481 -2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2112 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3813 -2.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -2.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 -2.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 -1.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 -2.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2264 -2.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 -2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5007 -1.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 -1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -2.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9931 -1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6963 -1.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 -4.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 -4.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -4.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 -3.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2213 -3.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 -3.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 3.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5245 3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 -3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 -2.8565 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 11 17 2 0 0 0 0 12 18 1 0 0 0 0 5 19 1 0 0 0 0 16 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 33 40 1 0 0 0 0 32 41 1 0 0 0 0 36 28 1 0 0 0 0 24 18 1 0 0 0 0 48 42 1 1 0 0 0 47 42 1 1 0 0 0 46 48 1 1 0 0 0 42 43 1 0 0 0 0 48 44 1 0 0 0 0 49 46 1 0 0 0 0 45 50 1 0 0 0 0 47 49 1 0 0 0 0 42 45 1 0 0 0 0 31 46 1 0 0 0 0 56 51 1 1 0 0 0 55 51 1 1 0 0 0 54 56 1 1 0 0 0 51 52 1 0 0 0 0 56 53 1 0 0 0 0 57 54 1 0 0 0 0 55 57 1 0 0 0 0 50 54 1 0 0 0 0 58 59 1 0 0 0 0 14 58 1 0 0 0 0 60 61 1 0 0 0 0 51 60 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 58 59 M SBL 1 1 65 M SMT 1 ^ OCH3 M SBV 1 65 0.7144 -0.4125 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 60 61 M SBL 2 1 67 M SMT 2 CH2OH M SBV 2 67 0.0000 -1.0213 S SKP 5 ID FL5FCAGS0012 FORMULA C38H48O23 EXACTMASS 872.258637842 AVERAGEMASS 872.7739200000001 SMILES Oc(c1)c(C(=O)2)c(OC(c(c7)ccc(c7)O)=C2OC(C(OC(O6)C(O)C(C6)(O)COC(C5O)OCC(O)(CO)5)4)OC(C(C4O)O)COC(C3O)OC(C(C(O)3)O)C)cc(OC)1 M END