Mol:FLIAALNI0002
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 |
| − | -1.1965 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1965 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1965 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1965 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1956 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1956 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1956 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1956 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3049 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3049 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3049 1.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3049 1.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3049 -0.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3049 -0.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3054 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3054 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3054 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3054 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7695 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7695 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2337 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2337 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2337 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2337 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7695 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7695 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6969 -0.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6969 -0.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 -0.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 -0.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7813 -0.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7813 -0.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1968 -0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1968 -0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6969 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6969 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1968 -1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1968 -1.2997 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 |
| − | 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 2 0 0 0 0 | + | 18 13 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0002 | + | ID FLIAALNI0002 |
| − | KNApSAcK_ID C00002545 | + | KNApSAcK_ID C00002545 |
| − | NAME Luteone (isoflavone) | + | NAME Luteone (isoflavone) |
| − | CAS_RN 41743-56-0 | + | CAS_RN 41743-56-0 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(O)cc(O)c3)=C2)=O)C=C(C)C | + | SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(O)cc(O)c3)=C2)=O)C=C(C)C |
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
-1.1965 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1965 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 1.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 -0.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2337 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2337 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6969 -0.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -0.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7813 -0.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 -0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6969 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 -1.2997 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
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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 13 2 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
2 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
24 26 1 0 0 0 0
S SKP 8
ID FLIAALNI0002
KNApSAcK_ID C00002545
NAME Luteone (isoflavone)
CAS_RN 41743-56-0
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(O)cc(O)c3)=C2)=O)C=C(C)C
M END
