Mol:FL7AAGGL0050
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 65 71 0 0 0 0 0 0 0 0999 V2000 -1.4722 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4722 3.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0433 3.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0433 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 4.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 3.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 4.3121 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.1622 4.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8767 3.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 4.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 5.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8767 5.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1622 5.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 5.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 2.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 4.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 1.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8767 6.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2561 3.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 1.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 1.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8569 0.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4438 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 -0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1982 1.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 -0.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5816 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0695 1.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 1.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 2.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7636 1.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1882 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 2.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2561 1.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7047 1.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4949 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 -2.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8758 -1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 -1.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 -2.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -2.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2808 -1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5545 -2.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 -2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -3.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9493 -2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3506 -3.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 -4.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3467 -4.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9356 -5.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 -5.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6967 -4.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1079 -4.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 -6.3166 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 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 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 18 1 0 0 0 0 33 29 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 20 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 49 48 1 1 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 48 51 1 0 0 0 0 47 52 1 0 0 0 0 45 53 1 0 0 0 0 49 33 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 59 1 0 0 0 0 62 65 1 0 0 0 0 54 46 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAGGL0050 FORMULA C42H47O23 EXACTMASS 919.25081281 AVERAGEMASS 919.8087800000001 SMILES C(=Cc(c7)ccc(O)c7)C(OC(C(O)6)C(OC(C(O)6)OCC(O1)C(O)C(C(C1Oc(c3c(c5)cc(c(c(O)5)O)O)cc(c2OC(C4O)OC(C(C(O)4)O)CO)c([o+1]3)cc(c2)O)O)O)C)=O M END