Mol:FL5FACGS0100
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 49 53 0 0 0 0 0 0 0 0999 V2000 | + | 49 53 0 0 0 0 0 0 0 0999 V2000 |
− | -1.5916 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5916 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5916 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5916 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8771 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8771 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1627 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1627 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1627 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1627 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8771 2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8771 2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5518 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5518 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3061 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3061 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0205 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0205 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0205 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0205 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3061 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3061 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2663 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2663 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9807 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9807 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9807 3.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9807 3.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2663 3.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2663 3.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5518 3.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5518 3.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8771 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8771 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6951 1.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6951 1.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3061 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3061 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7350 2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7350 2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6951 3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6951 3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6439 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6439 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2759 -1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2759 -1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9314 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9314 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9996 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3675 -0.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3675 -0.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7120 -1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7120 -1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2073 -1.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2073 -1.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5518 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5518 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8066 -2.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8066 -2.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2040 -2.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2040 -2.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2375 -2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2375 -2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4770 -2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4770 -2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1915 -2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1915 -2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9060 -2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9060 -2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6204 -2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6204 -2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4770 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4770 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9060 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9060 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0851 -1.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0851 -1.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7170 -2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7170 -2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6315 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6315 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9933 -0.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9933 -0.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3614 -0.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3614 -0.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4468 -0.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4468 -0.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6277 -0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6277 -0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7350 -0.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7350 -0.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2922 -2.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2922 -2.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2396 -2.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2396 -2.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0970 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0970 -2.2822 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 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 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
− | 1 8 1 0 0 0 0 | + | 1 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 2 1 0 0 0 0 | + | 11 2 1 0 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 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 7 1 0 0 0 0 | + | 16 7 1 0 0 0 0 |
− | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
− | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
− | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
− | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
− | 9 20 1 0 0 0 0 | + | 9 20 1 0 0 0 0 |
− | 4 29 1 0 0 0 0 | + | 4 29 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 24 45 1 0 0 0 0 | + | 24 45 1 0 0 0 0 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
− | 33 32 1 0 0 0 0 | + | 33 32 1 0 0 0 0 |
− | 34 33 1 0 0 0 0 | + | 34 33 1 0 0 0 0 |
− | 35 34 1 0 0 0 0 | + | 35 34 1 0 0 0 0 |
− | 36 35 1 0 0 0 0 | + | 36 35 1 0 0 0 0 |
− | 33 37 2 0 0 0 0 | + | 33 37 2 0 0 0 0 |
− | 35 38 2 0 0 0 0 | + | 35 38 2 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
− | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
− | 43 42 1 1 0 0 0 | + | 43 42 1 1 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 39 1 0 0 0 0 | + | 44 39 1 0 0 0 0 |
− | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
− | 42 46 1 0 0 0 0 | + | 42 46 1 0 0 0 0 |
− | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
− | 40 48 1 0 0 0 0 | + | 40 48 1 0 0 0 0 |
− | 39 49 1 0 0 0 0 | + | 39 49 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FACGS0100 | + | ID FL5FACGS0100 |
− | FORMULA C30H32O19 | + | FORMULA C30H32O19 |
− | EXACTMASS 696.153778842 | + | EXACTMASS 696.153778842 |
− | AVERAGEMASS 696.56368 | + | AVERAGEMASS 696.56368 |
− | SMILES c(c(O)5)(c(cc(O)c5)4)C(C(=C(O4)c(c3)ccc(c3O)O)OC(C1OC(C2O)OC(C(O)C(O)2)C)OC(COC(CC(O)=O)=O)C(C1O)O)=O | + | SMILES c(c(O)5)(c(cc(O)c5)4)C(C(=C(O4)c(c3)ccc(c3O)O)OC(C1OC(C2O)OC(C(O)C(O)2)C)OC(COC(CC(O)=O)=O)C(C1O)O)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 49 53 0 0 0 0 0 0 0 0999 V2000 -1.5916 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1627 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1627 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0205 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0205 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 3.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 3.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 3.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 1.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2759 -1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9314 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 -0.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 -1.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 -2.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1915 -2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6204 -2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 -1.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9933 -0.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -0.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4468 -0.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 -0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -0.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 -2.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 -2.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -2.2822 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 2 1 0 0 0 0 7 12 2 0 0 0 0 12 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 7 1 0 0 0 0 3 17 2 0 0 0 0 14 21 1 0 0 0 0 13 18 1 0 0 0 0 11 19 1 0 0 0 0 9 20 1 0 0 0 0 4 29 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 25 29 1 0 0 0 0 24 45 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 28 32 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 33 37 2 0 0 0 0 35 38 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 43 45 1 0 0 0 0 42 46 1 0 0 0 0 41 47 1 0 0 0 0 40 48 1 0 0 0 0 39 49 1 0 0 0 0 S SKP 5 ID FL5FACGS0100 FORMULA C30H32O19 EXACTMASS 696.153778842 AVERAGEMASS 696.56368 SMILES c(c(O)5)(c(cc(O)c5)4)C(C(=C(O4)c(c3)ccc(c3O)O)OC(C1OC(C2O)OC(C(O)C(O)2)C)OC(COC(CC(O)=O)=O)C(C1O)O)=O M END