Mol:FL5FADGL0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -4.0963 0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0963 -0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 -0.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 -0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9529 -0.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2385 -0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2385 0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9529 0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9529 -1.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5243 0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 0.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5243 1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8105 0.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7323 -0.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 -1.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2753 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 -3.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6733 -2.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 -3.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1095 -2.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 -2.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 -0.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 -1.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1332 -0.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 -0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 -0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 -0.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8789 -0.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4321 -1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 -1.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2864 -3.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -3.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 -3.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 1.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7187 2.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2309 1.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1599 1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 2.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9953 2.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8105 1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1262 0.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2199 2.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7868 3.8755 0.0000 C 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 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 19 1 0 0 0 0 42 15 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 42 44 1 0 0 0 0 52 53 1 0 0 0 0 46 52 1 0 0 0 0 54 55 1 0 0 0 0 16 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 58 M SMT 1 CH2OH M SBV 1 58 -0.6380 0.0943 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 54 55 M SBL 2 1 60 M SMT 2 OCH3 M SBV 2 60 -0.0161 -0.6753 S SKP 5 ID FL5FADGL0029 FORMULA C34H42O21 EXACTMASS 786.2218584059999 AVERAGEMASS 786.68468 SMILES OC(C1O)C(O)C(Oc(c2OC)ccc(C(=C(OC(O5)C(O)C(C(O)C5COC(C6O)OC(C)C(C6O)O)O)3)Oc(c4)c(c(cc4O)O)C3=O)c2)OC1CO M END