Mol:FL5FACGS0110
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 |
| − | 2.8437 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8437 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1293 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1293 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1293 3.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1293 3.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8437 3.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8437 3.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5582 3.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5582 3.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5582 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5582 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4148 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4148 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7003 2.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7003 2.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0141 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0141 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0141 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0141 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7003 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7003 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4148 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4148 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7286 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7286 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4431 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4431 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4431 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4431 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7286 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7286 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7003 0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7003 0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1576 2.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1576 2.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0138 0.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0138 0.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7286 0.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7286 0.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1501 3.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1501 3.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8437 4.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8437 4.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0965 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0965 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9165 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9165 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2231 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2231 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8774 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8774 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0574 -0.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0574 -0.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7507 -0.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7507 -0.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0555 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0555 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1675 -1.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1675 -1.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5060 -1.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5060 -1.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2763 -0.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2763 -0.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6892 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6892 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1290 -2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1290 -2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5417 -2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5417 -2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7482 -2.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7482 -2.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9499 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9499 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5371 -2.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5371 -2.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3307 -2.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3307 -2.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9724 -3.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9724 -3.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7589 -2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7589 -2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1619 -3.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1619 -3.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7757 -4.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7757 -4.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1686 -3.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1686 -3.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5934 -4.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5934 -4.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0806 -2.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0806 -2.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6164 -3.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6164 -3.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6117 -3.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6117 -3.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1501 -2.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1501 -2.7675 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 |
| − | 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 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 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 35 46 1 0 0 0 0 | + | 35 46 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 46 48 1 0 0 0 0 | + | 46 48 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0110 | + | ID FL5FACGS0110 |
| − | FORMULA C31H34O18 | + | FORMULA C31H34O18 |
| − | EXACTMASS 694.174514284 | + | EXACTMASS 694.174514284 |
| − | AVERAGEMASS 694.59086 | + | AVERAGEMASS 694.59086 |
| − | SMILES O(C(COC(O5)C(O)C(C(C5C)OC(C)=O)OC(C)=O)4)C(C(O)C(O)C4O)OC(=C2c(c3)ccc(c(O)3)O)C(c(c1O2)c(cc(c1)O)O)=O | + | SMILES O(C(COC(O5)C(O)C(C(C5C)OC(C)=O)OC(C)=O)4)C(C(O)C(O)C4O)OC(=C2c(c3)ccc(c(O)3)O)C(c(c1O2)c(cc(c1)O)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
2.8437 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1293 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1293 3.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8437 3.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5582 3.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5582 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4148 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7003 2.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0141 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0141 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7003 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4148 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7286 2.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4431 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4431 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7286 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7003 0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1576 2.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0138 0.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7286 0.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1501 3.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8437 4.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0965 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9165 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2231 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8774 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0574 -0.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7507 -0.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0555 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1675 -1.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5060 -1.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2763 -0.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6892 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1290 -2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5417 -2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7482 -2.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9499 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5371 -2.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3307 -2.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9724 -3.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7589 -2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1619 -3.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7757 -4.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1686 -3.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5934 -4.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0806 -2.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6164 -3.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6117 -3.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1501 -2.7675 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
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
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 19 1 0 0 0 0
33 29 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 42 1 0 0 0 0
35 46 1 0 0 0 0
34 41 1 0 0 0 0
38 33 1 0 0 0 0
42 44 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
46 48 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
S SKP 5
ID FL5FACGS0110
FORMULA C31H34O18
EXACTMASS 694.174514284
AVERAGEMASS 694.59086
SMILES O(C(COC(O5)C(O)C(C(C5C)OC(C)=O)OC(C)=O)4)C(C(O)C(O)C4O)OC(=C2c(c3)ccc(c(O)3)O)C(c(c1O2)c(cc(c1)O)O)=O
M END
