Mol:FLIAAANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 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 |
| − | 1.3054 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 |
| − | -1.6376 1.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6376 1.2654 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 | + | 2.6969 -0.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3049 -0.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3049 -0.2482 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 |
| − | -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 |
| − | 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 |
| − | 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 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 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 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANI0001 | + | ID FLIAAANI0001 |
| − | KNApSAcK_ID C00002586 | + | KNApSAcK_ID C00002586 |
| − | NAME Wighteone;Erythrinin B;5,7,4'-Trihydroxy-6-prenylisoflavone | + | NAME Wighteone;Erythrinin B;5,7,4'-Trihydroxy-6-prenylisoflavone |
| − | CAS_RN 51225-30-0 | + | CAS_RN 51225-30-0 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES C(c(c(O)1)c(O)cc(O3)c1C(C(=C3)c(c2)ccc(O)c2)=O)C=C(C)C | + | SMILES C(c(c(O)1)c(O)cc(O3)c1C(C(=C3)c(c2)ccc(O)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/
25 27 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
1.3054 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
-1.6376 1.2654 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
0.3049 -0.2482 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
-0.6960 -0.4336 0.0000 O 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
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 17 1 0 0 0 0
14 18 1 0 0 0 0
7 19 2 0 0 0 0
2 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
3 25 1 0 0 0 0
S SKP 8
ID FLIAAANI0001
KNApSAcK_ID C00002586
NAME Wighteone;Erythrinin B;5,7,4'-Trihydroxy-6-prenylisoflavone
CAS_RN 51225-30-0
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C(c(c(O)1)c(O)cc(O3)c1C(C(=C3)c(c2)ccc(O)c2)=O)C=C(C)C
M END
