Mol:FL3FAACS0054
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5334 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5334 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5334 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5334 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8186 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8186 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1038 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1038 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1038 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1038 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8186 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8186 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6109 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6109 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3257 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3257 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3257 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3257 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6109 1.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6109 1.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6109 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6109 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2478 1.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2478 1.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8186 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8186 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1196 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1196 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8728 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8728 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6260 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6260 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6260 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6260 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8728 2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8728 2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1196 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1196 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3788 2.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3788 2.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8814 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8814 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4366 -0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4366 -0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7960 -0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7960 -0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1282 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1282 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6270 0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6270 0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2814 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2814 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3788 -0.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3788 -0.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9715 -0.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9715 -0.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3627 -0.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3627 -0.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5220 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5220 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8565 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8565 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2133 -1.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2133 -1.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5662 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5662 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2317 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2317 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8749 -1.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8749 -1.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1431 -1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1431 -1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3771 -1.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3771 -1.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7063 -2.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7063 -2.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5662 -2.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5662 -2.4687 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0054 | + | ID FL3FAACS0054 |
| − | FORMULA C26H28O13 | + | FORMULA C26H28O13 |
| − | EXACTMASS 548.152990982 | + | EXACTMASS 548.152990982 |
| − | AVERAGEMASS 548.49272 | + | AVERAGEMASS 548.49272 |
| − | SMILES c(c5)(ccc(c5)C(=C1)Oc(c4)c(c(O)c(c4O)C(O2)C(OC(O3)C(O)C(O)C(C3C)O)C(O)C(O)C2)C1=O)O | + | SMILES c(c5)(ccc(c5)C(=C1)Oc(c4)c(c(O)c(c4O)C(O2)C(OC(O3)C(O)C(O)C(C3C)O)C(O)C(O)C2)C1=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-1.5334 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5334 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8186 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1038 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1038 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8186 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6109 -0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3257 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3257 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6109 1.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6109 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2478 1.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8186 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1196 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8728 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6260 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6260 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8728 2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1196 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3788 2.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8814 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4366 -0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7960 -0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1282 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6270 0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2814 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3788 -0.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9715 -0.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3627 -0.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5220 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8565 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2133 -1.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5662 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2317 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8749 -1.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1431 -1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3771 -1.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7063 -2.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5662 -2.4687 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
1 12 1 0 0 0 0
3 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
14 9 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 29 1 0 0 0 0
24 2 1 0 0 0 0
S SKP 5
ID FL3FAACS0054
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES c(c5)(ccc(c5)C(=C1)Oc(c4)c(c(O)c(c4O)C(O2)C(OC(O3)C(O)C(O)C(C3C)O)C(O)C(O)C2)C1=O)O
M END
