Mol:FL3FADCS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -0.6806 2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 1.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 1.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 2.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 1.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 2.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 0.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 2.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8033 2.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 2.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 3.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8033 4.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 3.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4103 4.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4156 2.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4825 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 1.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8931 1.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1398 1.4194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4931 1.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 0.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 -0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5005 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5005 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 -1.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0153 -1.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 0.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 -1.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5005 -2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9639 -3.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5848 -3.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1682 -3.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 -3.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3336 -3.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5848 -4.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3336 -2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0324 -2.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7312 -2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7312 -3.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0324 -3.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4286 -2.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3163 2.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0726 2.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 3.0945 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 2 1 0 0 0 0 30 31 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 30 1 0 0 0 0 30 36 1 0 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 33 39 1 0 0 0 0 31 29 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 41 45 2 0 0 0 0 44 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 44 1 0 0 0 0 48 51 1 0 0 0 0 52 53 1 0 0 0 0 15 52 1 0 0 0 0 54 55 1 0 0 0 0 26 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 OCH3 M SBV 1 58 -0.7601 0.4388 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 54 55 M SBL 2 1 60 M SMT 2 ^ CH2OH M SBV 2 60 0.4642 -0.4642 S SKP 5 ID FL3FADCS0015 FORMULA C37H38O18 EXACTMASS 770.205814412 AVERAGEMASS 770.6868199999999 SMILES C(C(O)4)(O)C(CO)OC(C4OC(O5)C(O)C(O)C(C5COC(=O)C=Cc(c6)ccc(c6)O)O)c(c3O)c(cc(c13)OC(c(c2)ccc(c2OC)O)=CC1=O)O M END