Mol:FL3FACGS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4206 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4206 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4206 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4206 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7195 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7195 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0183 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0183 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0183 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0183 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7195 -1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7195 -1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3174 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3174 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3837 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3837 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3837 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3837 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3174 -1.7341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3174 -1.7341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3174 -3.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3174 -3.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0846 -1.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0846 -1.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7991 -2.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7991 -2.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5135 -1.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5135 -1.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5135 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5135 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7991 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7991 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0846 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0846 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2280 -1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2280 -1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7195 -4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7195 -4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7991 0.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7991 0.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2280 -0.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2280 -0.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2080 3.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2080 3.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7235 2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7235 2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2423 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2423 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8094 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8094 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1057 1.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1057 1.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1394 2.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1394 2.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9609 4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9609 4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1395 3.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1395 3.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2423 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2423 0.6778 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 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 |
| − | 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0012 | + | ID FL3FACGS0012 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)OC(O1)C(O)C(C(O)C1)O | + | SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)OC(O1)C(O)C(C(O)C1)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/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.4206 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7195 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0183 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0183 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7195 -1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3837 -2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3837 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 -1.7341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 -3.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0846 -1.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7991 -2.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5135 -1.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5135 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7991 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0846 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2280 -1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7195 -4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7991 0.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2280 -0.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2080 3.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7235 2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2423 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8094 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1057 1.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1394 2.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9609 4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 3.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2423 0.6778 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 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 12 1 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 20 1 0 0 0 0
S SKP 5
ID FL3FACGS0012
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)OC(O1)C(O)C(C(O)C1)O
M END
