Mol:FL5FAAGA0042
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 55 60 0 0 0 0 0 0 0 0999 V2000 | + | 55 60 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7168 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7168 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7168 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7168 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9985 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9985 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2801 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2801 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2801 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2801 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9985 1.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9985 1.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4382 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4382 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1565 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1565 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1565 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1565 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4382 1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4382 1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4382 -0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4382 -0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8745 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8745 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6067 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6067 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3387 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3387 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3387 2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3387 2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6067 3.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6067 3.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8745 2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8745 2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4348 1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4348 1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0707 3.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0707 3.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0175 0.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0175 0.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9985 -0.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9985 -0.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3181 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3181 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6036 -0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6036 -0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8304 -1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8304 -1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6036 -2.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6036 -2.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3181 -2.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3181 -2.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0915 -1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0915 -1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3218 -0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3218 -0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5967 -2.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5967 -2.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9773 -2.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9773 -2.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6124 -2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6124 -2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5670 -1.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5670 -1.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3531 -1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3531 -1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8845 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8845 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8265 -0.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8265 -0.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0403 -0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0403 -0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5089 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5089 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3276 -0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3276 -0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9206 -2.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9206 -2.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4093 -2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4093 -2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4763 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4763 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9632 -3.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9632 -3.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1790 -3.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1790 -3.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2181 -2.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2181 -2.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2877 -3.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2877 -3.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9034 2.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9034 2.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2252 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2252 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4405 2.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4405 2.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2252 3.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2252 3.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9034 3.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9034 3.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6883 2.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6883 2.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4708 3.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4708 3.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2252 3.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2252 3.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2983 2.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2983 2.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4763 1.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4763 1.8937 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 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 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 36 28 1 0 0 0 0 | + | 36 28 1 0 0 0 0 |
| − | 31 42 1 0 0 0 0 | + | 31 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 |
| − | 43 45 2 0 0 0 0 | + | 43 45 2 0 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 1 1 0 0 0 | + | 50 51 1 1 0 0 0 |
| − | 51 46 1 1 0 0 0 | + | 51 46 1 1 0 0 0 |
| − | 50 52 1 0 0 0 0 | + | 50 52 1 0 0 0 0 |
| − | 49 53 1 0 0 0 0 | + | 49 53 1 0 0 0 0 |
| − | 51 54 1 0 0 0 0 | + | 51 54 1 0 0 0 0 |
| − | 46 55 1 0 0 0 0 | + | 46 55 1 0 0 0 0 |
| − | 47 18 1 0 0 0 0 | + | 47 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGA0042 | + | ID FL5FAAGA0042 |
| − | FORMULA C35H42O20 | + | FORMULA C35H42O20 |
| − | EXACTMASS 782.226943784 | + | EXACTMASS 782.226943784 |
| − | AVERAGEMASS 782.69598 | + | AVERAGEMASS 782.69598 |
| − | SMILES O(c(c6)cc(c(c62)C(=O)C(OC(C4OC(C(O)5)OC(C)C(O)C5O)OC(COC(C)=O)C(C(O)4)O)=C(c(c3)ccc(c3)O)O2)O)C(C(O)1)OC(C(O)C1O)C | + | SMILES O(c(c6)cc(c(c62)C(=O)C(OC(C4OC(C(O)5)OC(C)C(O)C5O)OC(COC(C)=O)C(C(O)4)O)=C(c(c3)ccc(c3)O)O2)O)C(C(O)1)OC(C(O)C1O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
-1.7168 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7168 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2801 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2801 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 1.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4382 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1565 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1565 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4382 1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4382 -0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8745 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6067 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3387 1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3387 2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6067 3.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8745 2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4348 1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0707 3.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0175 0.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 -0.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3181 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 -0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8304 -1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 -2.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3181 -2.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0915 -1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 -0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5967 -2.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9773 -2.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6124 -2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5670 -1.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3531 -1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8845 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8265 -0.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0403 -0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5089 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3276 -0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9206 -2.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4093 -2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4763 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9632 -3.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1790 -3.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2181 -2.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2877 -3.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9034 2.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2252 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4405 2.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2252 3.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9034 3.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6883 2.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4708 3.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2252 3.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2983 2.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4763 1.8937 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
3 4 1 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
8 20 1 0 0 0 0
3 21 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 20 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 28 1 0 0 0 0
31 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 2 0 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 1 0 0 0
51 46 1 1 0 0 0
50 52 1 0 0 0 0
49 53 1 0 0 0 0
51 54 1 0 0 0 0
46 55 1 0 0 0 0
47 18 1 0 0 0 0
S SKP 5
ID FL5FAAGA0042
FORMULA C35H42O20
EXACTMASS 782.226943784
AVERAGEMASS 782.69598
SMILES O(c(c6)cc(c(c62)C(=O)C(OC(C4OC(C(O)5)OC(C)C(O)C5O)OC(COC(C)=O)C(C(O)4)O)=C(c(c3)ccc(c3)O)O2)O)C(C(O)1)OC(C(O)C1O)C
M END
