Mol:FL3FFAGS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1558 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1558 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1558 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1558 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4414 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4414 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2731 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2731 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2731 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2731 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4414 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4414 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9876 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9876 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7020 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7020 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7020 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7020 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9876 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9876 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4165 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4165 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1310 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1310 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8455 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8455 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8455 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8455 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1310 0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1310 0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4165 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4165 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9876 -2.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9876 -2.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4414 -2.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4414 -2.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5917 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5917 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8755 -0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8755 -0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4414 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4414 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2314 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2314 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8700 1.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8700 1.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7856 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7856 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9716 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9716 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3403 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3403 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4245 1.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4245 1.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2386 1.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2386 1.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2295 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2295 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6563 1.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6563 1.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5327 1.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5327 1.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6632 -0.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6632 -0.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5754 2.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5754 2.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8070 2.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8070 2.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2314 2.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2314 2.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6839 2.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6839 2.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1477 2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1477 2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5083 2.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5083 2.8156 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 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 |
| − | 29 33 2 0 0 0 0 | + | 29 33 2 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFAGS0017 | + | ID FL3FFAGS0017 |
| − | FORMULA C26H28O12 | + | FORMULA C26H28O12 |
| − | EXACTMASS 532.15807636 | + | EXACTMASS 532.15807636 |
| − | AVERAGEMASS 532.49332 | + | AVERAGEMASS 532.49332 |
| − | SMILES c(c4)(ccc(c4)OC)C(O1)=CC(=O)c(c(O)2)c1c(OC(O3)C(O)C(C(O)C(C(OCCCC)=O)3)O)c(O)c2 | + | SMILES c(c4)(ccc(c4)OC)C(O1)=CC(=O)c(c(O)2)c1c(OC(O3)C(O)C(C(O)C(C(OCCCC)=O)3)O)c(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-1.1558 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1558 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2731 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2731 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9876 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7020 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7020 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9876 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4165 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1310 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8455 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8455 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1310 0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4165 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9876 -2.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -2.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5917 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8755 -0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2314 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8700 1.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7856 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3403 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4245 1.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2386 1.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2295 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6563 1.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5327 1.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6632 -0.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5754 2.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8070 2.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2314 2.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6839 2.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1477 2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5083 2.8156 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
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
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
6 21 1 0 0 0 0
19 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
29 33 2 0 0 0 0
29 34 1 0 0 0 0
34 38 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 5
ID FL3FFAGS0017
FORMULA C26H28O12
EXACTMASS 532.15807636
AVERAGEMASS 532.49332
SMILES c(c4)(ccc(c4)OC)C(O1)=CC(=O)c(c(O)2)c1c(OC(O3)C(O)C(C(O)C(C(OCCCC)=O)3)O)c(O)c2
M END
