Mol:FLIBALNI0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8958 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8958 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3395 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3395 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7832 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7832 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7832 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7832 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3395 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3395 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2269 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2269 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6706 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6706 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6706 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6706 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2269 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2269 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1145 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1145 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1145 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1145 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4803 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4803 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0751 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0751 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0751 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0751 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4803 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4803 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2269 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2269 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6646 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6646 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4519 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4519 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3395 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3395 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8956 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8956 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8956 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8956 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3395 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3395 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4517 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4517 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.3395 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3395 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6693 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6693 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2635 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2635 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8577 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8577 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8577 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8577 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4519 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4519 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNI0012 | + | ID FLIBALNI0012 |
| − | KNApSAcK_ID C00009970 | + | KNApSAcK_ID C00009970 |
| − | NAME 3'-Dimethylallylkievitone;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone | + | NAME 3'-Dimethylallylkievitone;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone |
| − | CAS_RN 104380-55-4 | + | CAS_RN 104380-55-4 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c1CC=C(C)C)(c(C(C3)C(c(c2O3)c(O)cc(O)c(CC=C(C)C)2)=O)ccc1O)O | + | SMILES c(c1CC=C(C)C)(c(C(C3)C(c(c2O3)c(O)cc(O)c(CC=C(C)C)2)=O)ccc1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.8958 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6646 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8956 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8956 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4517 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6693 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4519 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
3 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIBALNI0012
KNApSAcK_ID C00009970
NAME 3'-Dimethylallylkievitone;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone
CAS_RN 104380-55-4
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c1CC=C(C)C)(c(C(C3)C(c(c2O3)c(O)cc(O)c(CC=C(C)C)2)=O)ccc1O)O
M END
