Mol:FL5FAAGL0086
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 54 59 0 0 0 0 0 0 0 0999 V2000 | + | 54 59 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7410 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7410 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7410 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7410 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0266 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0266 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3121 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3121 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3121 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3121 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0266 1.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0266 1.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4023 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4023 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1167 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1167 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1167 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1167 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4023 1.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4023 1.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4023 -0.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4023 -0.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0163 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0163 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7445 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7445 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4727 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4727 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4727 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4727 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7445 3.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7445 3.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0163 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0163 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0266 -0.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0266 -0.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2520 3.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2520 3.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4031 1.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4031 1.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9250 -0.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9250 -0.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0132 0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0132 0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6269 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6269 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3697 -0.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3697 -0.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1171 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1171 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5036 0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5036 0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7606 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7606 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2957 0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2957 0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3374 0.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3374 0.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1164 0.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1164 0.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8681 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8681 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.3482 -0.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3482 -0.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9375 1.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9375 1.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4608 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4608 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7744 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7744 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1119 1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1119 1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5933 1.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5933 1.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1938 1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1938 1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.5135 1.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5135 1.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0787 1.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0787 1.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1307 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1307 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0115 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0115 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9520 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9520 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5135 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5135 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5606 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5606 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6269 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6269 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1698 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1698 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2558 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2558 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7987 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7987 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2558 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2558 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1698 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1698 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1141 -2.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1141 -2.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8073 2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8073 2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7839 1.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7839 1.8280 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 |
− | 42 44 2 0 0 0 0 | + | 42 44 2 0 0 0 0 |
− | 43 45 2 0 0 0 0 | + | 43 45 2 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 |
− | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
− | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
− | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
− | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
− | 51 46 1 0 0 0 0 | + | 51 46 1 0 0 0 0 |
− | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
− | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
− | 38 53 1 0 0 0 0 | + | 38 53 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 53 54 | + | M SAL 1 2 53 54 |
− | M SBL 1 1 59 | + | M SBL 1 1 59 |
− | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
− | M SBV 1 59 0.6135 -0.5726 | + | M SBV 1 59 0.6135 -0.5726 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGL0086 | + | ID FL5FAAGL0086 |
− | FORMULA C36H36O18 | + | FORMULA C36H36O18 |
− | EXACTMASS 756.190164348 | + | EXACTMASS 756.190164348 |
− | AVERAGEMASS 756.6602399999999 | + | AVERAGEMASS 756.6602399999999 |
− | SMILES O(C=3c(c6)ccc(c6)O)c(c2C(C3OC(C4O)OC(COC(=O)C=Cc(c5)ccc(c5)O)C(O)C4O)=O)cc(cc(O)2)OC(C(O)1)OC(CO)C(C1O)O | + | SMILES O(C=3c(c6)ccc(c6)O)c(c2C(C3OC(C4O)OC(COC(=O)C=Cc(c5)ccc(c5)O)C(O)C4O)=O)cc(cc(O)2)OC(C(O)1)OC(CO)C(C1O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -1.7410 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3121 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3121 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 1.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 1.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 -0.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0163 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7445 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7445 3.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0163 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 -0.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 3.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4031 1.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 -0.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5036 0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7606 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 0.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 0.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3482 -0.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9375 1.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4608 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7744 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1119 1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5933 1.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5135 1.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0787 1.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0115 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5135 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7987 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 -2.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8073 2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7839 1.8280 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 42 44 2 0 0 0 0 43 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 53 54 1 0 0 0 0 38 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 ^CH2OH M SBV 1 59 0.6135 -0.5726 S SKP 5 ID FL5FAAGL0086 FORMULA C36H36O18 EXACTMASS 756.190164348 AVERAGEMASS 756.6602399999999 SMILES O(C=3c(c6)ccc(c6)O)c(c2C(C3OC(C4O)OC(COC(=O)C=Cc(c5)ccc(c5)O)C(O)C4O)=O)cc(cc(O)2)OC(C(O)1)OC(CO)C(C1O)O M END