Mol:FL1CACNR0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.2964 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2964 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2964 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2964 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8527 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8527 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4090 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4090 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4090 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4090 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8527 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8527 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0394 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0394 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5957 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5957 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5167 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5167 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0777 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0777 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5167 -1.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5167 -1.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0777 -0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0777 -0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6303 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6303 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1829 -0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1829 -0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1829 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1829 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6303 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6303 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6303 -1.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6303 -1.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5251 0.1639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5251 0.1639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9651 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9651 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9651 -1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9651 -1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5352 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5352 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9692 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9692 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6056 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6056 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9651 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9651 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7770 0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7770 0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9246 1.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9246 1.7676 0.0000 C 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 14 1 0 0 0 0 | + | 25 14 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CACNR0001 | + | ID FL1CACNR0001 |
| − | KNApSAcK_ID C00007112 | + | KNApSAcK_ID C00007112 |
| − | NAME 3',4'-Dihydrooxepino-6'-hydroxybutein | + | NAME 3',4'-Dihydrooxepino-6'-hydroxybutein |
| − | CAS_RN 104668-91-9 | + | CAS_RN 104668-91-9 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2O)c(O)cc(O3)c(CC=C(C)C3)2)c1 | + | SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2O)c(O)cc(O3)c(CC=C(C)C3)2)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/
26 28 0 0 0 0 0 0 0 0999 V2000
1.2964 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2964 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8527 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4090 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4090 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8527 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0394 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5957 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5167 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0777 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5167 -1.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0777 -0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6303 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1829 -0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1829 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6303 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6303 -1.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5251 0.1639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9651 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9651 -1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5352 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9692 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6056 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9651 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7770 0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9246 1.7676 0.0000 C 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
12 18 1 0 0 0 0
5 19 1 0 0 0 0
4 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 14 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FL1CACNR0001
KNApSAcK_ID C00007112
NAME 3',4'-Dihydrooxepino-6'-hydroxybutein
CAS_RN 104668-91-9
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2O)c(O)cc(O3)c(CC=C(C)C3)2)c1
M END
