Mol:FL5FAAGL0085
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 53 57 0 0 0 0 0 0 0 0999 V2000 | + | 53 57 0 0 0 0 0 0 0 0999 V2000 |
− | -1.6474 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6474 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6474 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6474 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9330 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9330 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2185 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2185 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2185 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2185 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9330 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9330 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4960 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4960 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2104 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2104 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2104 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2104 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4960 1.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4960 1.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4960 -0.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4960 -0.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1101 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1101 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8383 1.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8383 1.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5665 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5665 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5665 2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5665 2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8383 2.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8383 2.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1101 2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1101 2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9330 -1.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9330 -1.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3458 2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3458 2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3096 1.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3096 1.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0188 -0.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0188 -0.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2308 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2308 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8444 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8444 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5873 -0.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5873 -0.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3348 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3348 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7212 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7212 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9782 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9782 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5558 0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5558 0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3900 0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3900 0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.3753 0.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3753 0.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0446 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0446 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5040 -1.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5040 -1.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8441 1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8441 1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3674 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3674 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6809 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6809 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0185 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0185 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4998 1.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4998 1.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1004 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1004 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.5040 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5040 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9441 0.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9441 0.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9561 0.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9561 0.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7645 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7645 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8247 -1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8247 -1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9334 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9334 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9886 -1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9886 -1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0951 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0951 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0951 -2.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0951 -2.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2020 -1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2020 -1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9334 -2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9334 -2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9334 -1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9334 -1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7645 -2.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7645 -2.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6314 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6314 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6079 1.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6079 1.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
− | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
− | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
− | 36 20 1 0 0 0 0 | + | 36 20 1 0 0 0 0 |
− | 32 42 1 0 0 0 0 | + | 32 42 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
− | 46 48 1 0 0 0 0 | + | 46 48 1 0 0 0 0 |
− | 44 49 1 0 0 0 0 | + | 44 49 1 0 0 0 0 |
− | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
− | 42 51 2 0 0 0 0 | + | 42 51 2 0 0 0 0 |
− | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
− | 38 52 1 0 0 0 0 | + | 38 52 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 52 53 | + | M SAL 1 2 52 53 |
− | M SBL 1 1 57 | + | M SBL 1 1 57 |
− | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
− | M SBV 1 57 0.5310 -0.6757 | + | M SBV 1 57 0.5310 -0.6757 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGL0085 | + | ID FL5FAAGL0085 |
− | FORMULA C33H38O20 | + | FORMULA C33H38O20 |
− | EXACTMASS 754.1956436559999 | + | EXACTMASS 754.1956436559999 |
− | AVERAGEMASS 754.64282 | + | AVERAGEMASS 754.64282 |
− | SMILES c(c1O)c(OC(C(O)5)OC(CO)C(O)C5O)cc(O2)c1C(C(OC(O4)C(O)C(O)C(O)C4COC(CC(C)(O)CC(O)=O)=O)=C2c(c3)ccc(c3)O)=O | + | SMILES c(c1O)c(OC(C(O)5)OC(CO)C(O)C5O)cc(O2)c1C(C(OC(O4)C(O)C(O)C(O)C4COC(CC(C)(O)CC(O)=O)=O)=C2c(c3)ccc(c3)O)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 53 57 0 0 0 0 0 0 0 0999 V2000 -1.6474 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2185 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2185 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2104 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2104 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 1.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 1.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 2.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -1.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 1.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 -0.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2308 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 -0.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9782 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3753 0.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 -1.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8441 1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 1.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9441 0.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 0.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7645 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8247 -1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 -1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0951 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0951 -2.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 -2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 -1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7645 -2.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6314 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6079 1.6856 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 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 23 21 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 20 1 0 0 0 0 32 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 44 49 1 0 0 0 0 44 50 1 0 0 0 0 42 51 2 0 0 0 0 52 53 1 0 0 0 0 38 52 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 57 M SMT 1 ^CH2OH M SBV 1 57 0.5310 -0.6757 S SKP 5 ID FL5FAAGL0085 FORMULA C33H38O20 EXACTMASS 754.1956436559999 AVERAGEMASS 754.64282 SMILES c(c1O)c(OC(C(O)5)OC(CO)C(O)C5O)cc(O2)c1C(C(OC(O4)C(O)C(O)C(O)C4COC(CC(C)(O)CC(O)=O)=O)=C2c(c3)ccc(c3)O)=O M END