Mol:FL5FACGL0035
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -1.5385 1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2656 0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2656 1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 1.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 -0.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9663 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 2.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9663 2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 -0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 2.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 -1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 -0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9181 -1.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 -2.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 -2.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 -2.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3762 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -2.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 -3.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6089 -0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3835 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8206 -0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1183 -0.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1336 -0.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2764 -1.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9378 -0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 3.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0863 1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5231 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7121 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9296 1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4982 1.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2077 1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7056 1.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2439 0.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9123 0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8982 2.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9378 2.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3784 2.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -3.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 -3.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4664 0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2301 1.4872 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 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 19 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 28 31 1 0 0 0 0 34 39 1 0 0 0 0 16 40 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 18 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 46 50 1 0 0 0 0 53 54 1 0 0 0 0 25 53 1 0 0 0 0 55 56 1 0 0 0 0 35 55 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 50 51 52 M SBL 1 1 57 M SMT 1 ^ COOH M SBV 1 57 0.6905 -0.6905 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 53 54 M SBL 2 1 59 M SMT 2 ^ CH2OH M SBV 2 59 0.0183 0.6740 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 55 56 M SBL 3 1 61 M SMT 3 CH2OH M SBV 3 61 -0.6458 -0.2653 S SKP 5 ID FL5FACGL0035 FORMULA C33H38O23 EXACTMASS 802.180387522 AVERAGEMASS 802.64102 SMILES c(c6O)cc(cc6O)C(O1)=C(OC(O5)C(C(C(O)C5CO)O)OC(C4O)OC(CO)C(C4O)O)C(=O)c(c(O)2)c1cc(OC(C3O)OC(C(O)=O)C(O)C(O)3)c2 M END