Mol:BMMCACXXo005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 1 0 0 0 0 0999 V2000 | + | 13 13 0 0 1 0 0 0 0 0999 V2000 |
| − | -1.5461 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5461 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0331 -0.8692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.0331 -0.8692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.2601 -0.5810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.2601 -0.5810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.2953 0.2432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.2953 0.2432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.0901 0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0901 0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2466 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2466 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5368 -0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5368 -0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4191 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4191 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1336 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1336 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6327 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6327 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5461 -0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5461 -0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7503 -1.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7503 -1.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4295 1.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4295 1.6661 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 3 7 1 4 0 0 0 | + | 3 7 1 4 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 10 13 2 0 0 0 0 | + | 10 13 2 0 0 0 0 |
| − | S SKP 6 | + | S SKP 6 |
| − | ID BMMCACXXo005 | + | ID BMMCACXXo005 |
| − | NAME Iridotrial | + | NAME Iridotrial |
| − | FORMULA C10H14O3 | + | FORMULA C10H14O3 |
| − | EXACTMASS 182.0942 | + | EXACTMASS 182.0942 |
| − | AVERAGEMASS 182.2163 | + | AVERAGEMASS 182.2163 |
| − | SMILES O=CC(C=O)[C@@H](C1)[C@H](C=O)[C@@H](C)C1 | + | SMILES O=CC(C=O)[C@@H](C1)[C@H](C=O)[C@@H](C)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
-1.5461 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0331 -0.8692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2601 -0.5810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2953 0.2432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0901 0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2466 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5368 -0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4191 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1336 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6327 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5461 -0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 -1.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 1.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 4 0 0 0
5 1 1 0 0 0 0
2 6 1 4 0 0 0
3 7 1 4 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
9 11 2 0 0 0 0
7 12 2 0 0 0 0
10 13 2 0 0 0 0
S SKP 6
ID BMMCACXXo005
NAME Iridotrial
FORMULA C10H14O3
EXACTMASS 182.0942
AVERAGEMASS 182.2163
SMILES O=CC(C=O)[C@@H](C1)[C@H](C=O)[C@@H](C)C1
M END
