Mol:FL5FADGS0032
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 58 63 0 0 0 0 0 0 0 0999 V2000 | + | 58 63 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1486 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1486 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4341 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4341 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4341 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4341 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1486 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1486 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8631 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8631 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8631 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8631 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7198 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7198 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0053 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0053 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7092 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7092 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7092 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7092 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0053 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0053 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7198 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7198 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4236 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4236 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1381 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1381 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1381 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1381 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4236 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4236 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0053 -0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0053 -0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8525 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8525 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4341 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4341 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4236 -0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4236 -0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5775 3.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5775 3.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1486 4.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1486 4.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8803 4.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8803 4.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4639 -1.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4639 -1.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3593 -1.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3593 -1.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6318 -1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6318 -1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2633 -0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2633 -0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4400 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4400 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1673 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1673 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4049 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4049 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8573 -1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8573 -1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6412 -2.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6412 -2.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1255 -2.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1255 -2.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5205 -1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5205 -1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2016 -3.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2016 -3.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4212 -3.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4212 -3.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9563 -2.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9563 -2.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2089 -2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2089 -2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9893 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9893 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4543 -2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4543 -2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9559 -2.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9559 -2.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4584 -3.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4584 -3.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5775 -3.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5775 -3.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9901 -3.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9901 -3.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0660 -2.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0660 -2.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0810 -2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0810 -2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2096 -3.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2096 -3.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6840 -2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6840 -2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4363 -2.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4363 -2.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3078 -1.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3078 -1.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8333 -2.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8333 -2.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9550 -2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9550 -2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7821 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7821 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5005 -3.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5005 -3.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6271 -3.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6271 -3.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1254 -3.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1254 -3.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1147 -4.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1147 -4.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6067 -3.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6067 -3.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 37 45 1 0 0 0 0 | + | 37 45 1 0 0 0 0 |
| − | 38 31 1 0 0 0 0 | + | 38 31 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 1 0 0 0 | + | 47 48 1 1 0 0 0 |
| − | 49 48 1 1 0 0 0 | + | 49 48 1 1 0 0 0 |
| − | 50 49 1 1 0 0 0 | + | 50 49 1 1 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 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 |
| − | 48 53 1 0 0 0 0 | + | 48 53 1 0 0 0 0 |
| − | 47 54 1 0 0 0 0 | + | 47 54 1 0 0 0 0 |
| − | 46 55 1 0 0 0 0 | + | 46 55 1 0 0 0 0 |
| − | 54 56 1 0 0 0 0 | + | 54 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 56 58 1 0 0 0 0 | + | 56 58 1 0 0 0 0 |
| − | 50 34 1 0 0 0 0 | + | 50 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0032 | + | ID FL5FADGS0032 |
| − | FORMULA C36H44O22 | + | FORMULA C36H44O22 |
| − | EXACTMASS 828.232423092 | + | EXACTMASS 828.232423092 |
| − | AVERAGEMASS 828.72136 | + | AVERAGEMASS 828.72136 |
| − | SMILES c(OC)(c(O)6)cc(cc6)C(O2)=C(OC(C3OC(C(O)5)OC(C(OC(C)=O)C(O)5)C)OC(COC(O4)C(C(C(O)C(CO)4)O)O)C(C3O)O)C(c(c21)c(O)cc(O)c1)=O | + | SMILES c(OC)(c(O)6)cc(cc6)C(O2)=C(OC(C3OC(C(O)5)OC(C(OC(C)=O)C(O)5)C)OC(COC(O4)C(C(C(O)C(CO)4)O)O)C(C3O)O)C(c(c21)c(O)cc(O)c1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
58 63 0 0 0 0 0 0 0 0999 V2000
2.1486 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1486 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8631 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8631 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7198 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0053 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7092 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7092 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0053 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7198 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1381 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1381 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0053 -0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8525 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 -0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5775 3.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1486 4.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8803 4.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4639 -1.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3593 -1.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6318 -1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2633 -0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1673 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4049 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8573 -1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6412 -2.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1255 -2.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5205 -1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2016 -3.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4212 -3.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9563 -2.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2089 -2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9893 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4543 -2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9559 -2.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4584 -3.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5775 -3.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9901 -3.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0660 -2.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0810 -2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2096 -3.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6840 -2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4363 -2.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3078 -1.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8333 -2.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9550 -2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7821 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5005 -3.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6271 -3.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1254 -3.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1147 -4.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6067 -3.4851 0.0000 C 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
22 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 45 1 0 0 0 0
38 31 1 0 0 0 0
27 19 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
48 53 1 0 0 0 0
47 54 1 0 0 0 0
46 55 1 0 0 0 0
54 56 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
50 34 1 0 0 0 0
S SKP 5
ID FL5FADGS0032
FORMULA C36H44O22
EXACTMASS 828.232423092
AVERAGEMASS 828.72136
SMILES c(OC)(c(O)6)cc(cc6)C(O2)=C(OC(C3OC(C(O)5)OC(C(OC(C)=O)C(O)5)C)OC(COC(O4)C(C(C(O)C(CO)4)O)O)C(C3O)O)C(c(c21)c(O)cc(O)c1)=O
M END
