Mol:FL5FECGS0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 68 74 0 0 0 0 0 0 0 0999 V2000 2.1460 3.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 4.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 4.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 5.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 4.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 4.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7171 3.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 4.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 3.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 2.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7171 2.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 4.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 3.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 2.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 1.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8552 4.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4691 2.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 1.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 5.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 6.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8706 1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 0.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1904 -0.6543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 -1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 -0.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9848 1.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8181 -2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 -2.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 -1.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6389 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3053 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -1.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 -1.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5136 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 -0.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 -0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 -0.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 -0.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 -0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7728 -1.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3797 -1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0012 -1.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -2.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 -3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 -3.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4507 -4.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4741 -5.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -5.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 -4.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -6.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 0.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 1.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 2.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 2.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -5.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 -6.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1663 -1.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6175 -1.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 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 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 39 34 1 1 0 0 0 38 34 1 1 0 0 0 37 39 1 1 0 0 0 34 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 38 40 1 0 0 0 0 33 37 1 0 0 0 0 26 19 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 54 1 0 0 0 0 57 60 1 0 0 0 0 49 50 1 0 0 0 0 44 30 1 0 0 0 0 61 62 1 0 0 0 0 46 61 1 0 0 0 0 63 64 1 0 0 0 0 15 63 1 0 0 0 0 65 66 1 0 0 0 0 56 65 1 0 0 0 0 67 68 1 0 0 0 0 34 67 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 61 62 M SBL 1 1 68 M SMT 1 ^ CH2OH M SBV 1 68 0.4201 -0.7277 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 63 64 M SBL 2 1 70 M SMT 2 ^ OCH3 M SBV 2 70 0.7172 0.2609 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 65 66 M SBL 3 1 72 M SMT 3 ^ OCH3 M SBV 3 72 0.5929 0.3423 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 67 68 M SBL 4 1 74 M SMT 4 ^ CH2OH M SBV 4 74 0.6518 -0.6518 S SKP 5 ID FL5FECGS0059 FORMULA C43H48O25 EXACTMASS 964.2484670859999 AVERAGEMASS 964.82622 SMILES C(OCC(O3)C(O)C(O)C(OC(C7O)OCC(O)7CO)C3OC(=C5c(c6)cc(O)c(c6)O)C(c(c4O)c(O5)cc(O)c(OC)4)=O)(O2)C(C(O)C(C2CO)O)OC(C=Cc(c1)cc(OC)c(O)c1)=O M END