Mol:FL3FEAGS0046
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2279 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2279 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2279 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2279 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5135 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5135 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2010 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2010 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2010 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2010 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5135 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5135 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9155 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9155 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6299 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6299 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6299 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6299 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9155 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9155 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3444 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3444 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0589 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0589 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7734 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7734 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7734 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7734 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0589 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0589 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3444 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3444 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9155 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9155 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5135 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5135 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5196 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5196 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9476 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9476 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9149 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9149 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6251 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6251 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5188 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5188 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3303 1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3303 1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6429 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6429 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2840 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2840 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4724 -0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4724 -0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1599 0.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1599 0.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7135 -0.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7135 -0.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4503 0.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4503 0.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5196 1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5196 1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9770 1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9770 1.5738 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 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 27 20 1 0 0 0 0 | + | 27 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0046 | + | ID FL3FEAGS0046 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1 | + | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.2279 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2279 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5135 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2010 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2010 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5135 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9155 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6299 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6299 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9155 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0589 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7734 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7734 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0589 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9155 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5135 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5196 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9476 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6251 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5188 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3303 1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6429 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2840 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4724 -0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1599 0.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7135 -0.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4503 0.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5196 1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9770 1.5738 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
2 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
27 20 1 0 0 0 0
S SKP 5
ID FL3FEAGS0046
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1
M END
