Mol:FL4DACNR0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7481 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7481 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2272 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2272 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7063 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7063 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7063 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7063 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2272 0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2272 0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7481 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7481 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1854 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1854 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3354 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3354 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3354 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3354 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1854 0.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1854 0.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1854 -1.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1854 -1.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2272 -1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2272 -1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9195 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9195 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4414 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4414 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9634 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9634 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9634 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9634 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4414 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4414 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9195 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9195 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4853 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4853 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4414 1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4414 1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8715 -1.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8715 -1.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1376 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1376 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5467 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5467 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1464 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1464 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4853 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4853 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3080 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3080 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4469 1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4469 1.6414 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 6 1 0 0 0 0 | + | 26 6 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNR0001 | + | ID FL4DACNR0001 |
| − | KNApSAcK_ID C00008637 | + | KNApSAcK_ID C00008637 |
| − | NAME 7,8-Dihydrooxepinodihydroquercetin | + | NAME 7,8-Dihydrooxepinodihydroquercetin |
| − | CAS_RN 104668-90-8 | + | CAS_RN 104668-90-8 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES CC(C4)=CCc(c12)c(O4)cc(c1C(C(O)C(c(c3)cc(c(O)c3)O)O2)=O)O | + | SMILES CC(C4)=CCc(c12)c(O4)cc(c1C(C(O)C(c(c3)cc(c(O)c3)O)O2)=O)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/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.7481 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2272 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7063 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7063 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2272 0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7481 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3354 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3354 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 0.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 -1.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2272 -1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4414 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9634 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9634 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4414 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4853 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4414 1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8715 -1.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1376 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5467 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1464 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4853 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3080 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4469 1.6414 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
20 17 1 0 0 0 0
8 21 1 1 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 6 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL4DACNR0001
KNApSAcK_ID C00008637
NAME 7,8-Dihydrooxepinodihydroquercetin
CAS_RN 104668-90-8
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES CC(C4)=CCc(c12)c(O4)cc(c1C(C(O)C(c(c3)cc(c(O)c3)O)O2)=O)O
M END
