Mol:FL5FADGL0031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -1.5096 -0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 -1.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0805 -1.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0805 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3486 -1.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -2.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9765 -0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7047 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7047 0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9765 0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3442 1.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1454 -0.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 -2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6645 0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3041 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5663 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9401 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 0.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9748 0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2848 0.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8205 -0.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1673 -0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1093 1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4779 1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 1.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8671 1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5263 2.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2066 1.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8535 1.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 0.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2314 0.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4524 1.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1719 -1.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 -2.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 -2.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2762 -2.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -1.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -1.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 -1.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 -1.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9779 1.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 2.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9916 -2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9916 -3.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 3.3486 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 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 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 27 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 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 38 31 1 0 0 0 0 35 41 1 0 0 0 0 25 20 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 48 1 0 0 0 0 47 49 1 0 0 0 0 46 50 1 0 0 0 0 43 21 1 0 0 0 0 51 52 1 0 0 0 0 16 51 1 0 0 0 0 53 54 1 0 0 0 0 45 53 1 0 0 0 0 55 56 1 0 0 0 0 36 55 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 57 M SMT 1 OCH3 M SBV 1 57 -0.0014 -0.6725 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 -0.7154 -0.1089 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 -0.7070 -0.0868 S SKP 5 ID FL5FADGL0031 FORMULA C34H42O22 EXACTMASS 802.216773028 AVERAGEMASS 802.68408 SMILES OC(C6O)C(OC(CO)C6O)OC(C2=O)=C(Oc(c3)c2c(cc3OC(O4)C(C(O)C(O)C4COC(O5)C(O)C(O)C(C5CO)O)O)O)c(c1)cc(c(c1)O)OC M END