Mol:FL5FECGS0064
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 59 64 0 0 0 0 0 0 0 0999 V2000 | + | 59 64 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3802 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3802 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6657 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6657 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6657 3.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6657 3.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3802 4.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3802 4.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0947 3.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0947 3.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0947 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0947 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.4777 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4777 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4777 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4777 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2368 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2368 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9513 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9513 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1921 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1921 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9066 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9066 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9066 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9066 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1921 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1921 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2368 0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2368 0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6211 2.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6211 2.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6657 1.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6657 1.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1921 0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1921 0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8092 4.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8092 4.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3802 4.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3802 4.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5677 1.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5677 1.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2844 2.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2844 2.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8238 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8238 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1112 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1112 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4786 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4786 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2802 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2802 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5676 0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5676 0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0222 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0222 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4214 -0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4214 -0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2679 -1.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2679 -1.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8176 -1.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8176 -1.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4231 -0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4231 -0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1239 0.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1239 0.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 -0.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 -0.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1062 -2.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1062 -2.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4012 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4012 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1988 -2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1988 -2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0038 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2988 -1.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2988 -1.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3013 -2.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3013 -2.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7631 -2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7631 -2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4134 -2.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4134 -2.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 -3.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 -3.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0242 -3.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0242 -3.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1241 -2.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1241 -2.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7244 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7244 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1190 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1190 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0994 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0994 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5114 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5114 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3353 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3353 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7478 -3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7478 -3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5728 -3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5728 -3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9853 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9853 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5728 -4.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5728 -4.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7478 -4.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7478 -4.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8092 -4.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8092 -4.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9847 -2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9847 -2.7814 0.0000 O 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 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
| − | 31 35 2 0 0 0 0 | + | 31 35 2 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 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 |
| − | 42 37 1 0 0 0 0 | + | 42 37 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 |
| − | 37 45 1 0 0 0 0 | + | 37 45 1 0 0 0 0 |
| − | 38 46 1 0 0 0 0 | + | 38 46 1 0 0 0 0 |
| − | 40 34 1 0 0 0 0 | + | 40 34 1 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 |
| − | 48 50 1 0 0 0 0 | + | 48 50 1 0 0 0 0 |
| − | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 52 1 0 0 0 0 | + | 57 52 1 0 0 0 0 |
| − | 55 58 1 0 0 0 0 | + | 55 58 1 0 0 0 0 |
| − | 54 59 1 0 0 0 0 | + | 54 59 1 0 0 0 0 |
| − | 47 39 1 0 0 0 0 | + | 47 39 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FECGS0064 | + | ID FL5FECGS0064 |
| − | FORMULA C37H36O22 | + | FORMULA C37H36O22 |
| − | EXACTMASS 832.169822836 | + | EXACTMASS 832.169822836 |
| − | AVERAGEMASS 832.66854 | + | AVERAGEMASS 832.66854 |
| − | SMILES O(C1OC(C5=O)=C(c(c6)cc(c(c6)O)O)Oc(c54)cc(c(c4O)O)OC)C(C(C(C1OC(O2)C(OC(=O)C=Cc(c3)ccc(c(O)3)O)C(O)C(O)C2CO)O)O)C(O)=O | + | SMILES O(C1OC(C5=O)=C(c(c6)cc(c(c6)O)O)Oc(c54)cc(c(c4O)O)OC)C(C(C(C1OC(O2)C(OC(=O)C=Cc(c3)ccc(c(O)3)O)C(O)C(O)C2CO)O)O)C(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
59 64 0 0 0 0 0 0 0 0999 V2000
2.3802 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6657 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6657 3.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3802 4.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0947 3.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0947 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9513 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 2.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4777 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4777 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9513 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1921 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9066 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9066 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1921 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6211 2.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6657 1.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1921 0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8092 4.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3802 4.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5677 1.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2844 2.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8238 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1112 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4786 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2802 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5676 0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0222 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4214 -0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2679 -1.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8176 -1.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4231 -0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1239 0.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 -0.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 -2.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4012 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1988 -2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0038 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2988 -1.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3013 -2.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 -2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4134 -2.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 -3.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0242 -3.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1241 -2.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7244 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1190 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0994 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5114 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3353 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7478 -3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5728 -3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9853 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5728 -4.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7478 -4.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8092 -4.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9847 -2.7814 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
15 23 1 0 0 0 0
18 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
27 34 1 0 0 0 0
31 35 2 0 0 0 0
31 36 1 0 0 0 0
28 19 1 0 0 0 0
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
37 45 1 0 0 0 0
38 46 1 0 0 0 0
40 34 1 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
50 51 2 0 0 0 0
51 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 52 1 0 0 0 0
55 58 1 0 0 0 0
54 59 1 0 0 0 0
47 39 1 0 0 0 0
S SKP 5
ID FL5FECGS0064
FORMULA C37H36O22
EXACTMASS 832.169822836
AVERAGEMASS 832.66854
SMILES O(C1OC(C5=O)=C(c(c6)cc(c(c6)O)O)Oc(c54)cc(c(c4O)O)OC)C(C(C(C1OC(O2)C(OC(=O)C=Cc(c3)ccc(c(O)3)O)C(O)C(O)C2CO)O)O)C(O)=O
M END
