Mol:BMMCACXXo004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 1 0 0 0 0 0999 V2000 | + | 12 12 0 0 1 0 0 0 0 0999 V2000 |
| − | -1.4466 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4466 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9336 -0.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.9336 -0.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.1606 -0.4743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.1606 -0.4743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.1959 0.3500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.1959 0.3500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.9906 0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9906 0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1471 -1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1471 -1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6363 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6363 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5186 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5186 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.2331 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2331 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7321 1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7321 1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4466 -0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4466 -0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0488 -1.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0488 -1.4023 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 4 0 0 0 | + | 8 10 1 4 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 |
| − | S SKP 6 | + | S SKP 6 |
| − | ID BMMCACXXo004 | + | ID BMMCACXXo004 |
| − | NAME Iridodial | + | NAME Iridodial |
| − | FORMULA C10H16O2 | + | FORMULA C10H16O2 |
| − | EXACTMASS 168.115 | + | EXACTMASS 168.115 |
| − | AVERAGEMASS 168.2328 | + | AVERAGEMASS 168.2328 |
| − | SMILES O=CC(C)[C@@H](C1)[C@H](C=O)[C@@H](C)C1 | + | SMILES O=CC(C)[C@@H](C1)[C@H](C=O)[C@@H](C)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
-1.4466 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9336 -0.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1606 -0.4743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1959 0.3500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9906 0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1471 -1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6363 -0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5186 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.2331 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7321 1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4466 -0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0488 -1.4023 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 4 0 0 0
9 11 2 0 0 0 0
7 12 2 0 0 0 0
S SKP 6
ID BMMCACXXo004
NAME Iridodial
FORMULA C10H16O2
EXACTMASS 168.115
AVERAGEMASS 168.2328
SMILES O=CC(C)[C@@H](C1)[C@H](C=O)[C@@H](C)C1
M END
