Mol:FL7AACGA0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 61 67 0 0 0 0 0 0 0 0999 V2000 -1.7944 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 1.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 1.9832 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.7776 1.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5058 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 1.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 2.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5058 3.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 2.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 1.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 3.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 -0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 0.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5058 4.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9753 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4047 -3.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2415 -3.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 -3.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 -3.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6611 -3.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9354 -3.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 -3.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1944 -4.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 -3.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 -2.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 -2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 -1.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8213 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6297 -2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7792 -3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1199 -3.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3114 -3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4792 -3.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 -1.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 -2.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7762 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2008 -2.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 -2.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 -2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 -0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 -0.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1401 -0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8474 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4249 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7253 -0.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 -0.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 -1.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -0.5205 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 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 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 28 22 1 0 0 0 0 26 32 1 0 0 0 0 22 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 43 49 1 0 0 0 0 48 50 1 0 0 0 0 47 51 1 0 0 0 0 44 20 1 0 0 0 0 46 52 1 0 0 0 0 52 32 1 0 0 0 0 53 54 1 1 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 53 49 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AACGA0008 FORMULA C39H43O22 EXACTMASS 863.2245980600001 AVERAGEMASS 863.74552 SMILES C(C(O)6)(O)C(OC(COC(c(c7)ccc(O)c7)=O)C(O)6)OCC(O2)C(O)C(C(C2Oc(c5)c([o+1]c(c45)cc(O)cc4O)c(c3)ccc(c(O)3)O)OC(O1)C(O)C(C(O)C1)O)O M END