Mol:FLIAAANI0002
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 |
| − | -1.7270 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7270 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7270 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7270 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6144 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6144 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6144 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6144 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0581 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0581 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4982 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4982 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4982 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4982 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0581 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0581 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0543 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0543 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0543 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0543 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6491 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6491 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2438 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2438 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2438 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2438 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6491 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6491 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0581 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0581 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8380 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8380 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2833 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2833 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2831 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2831 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2831 -0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2831 -0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2831 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2831 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8380 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8380 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8380 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8380 -1.0883 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 22 25 2 0 0 0 0 | + | 22 25 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANI0002 | + | ID FLIAAANI0002 |
| − | KNApSAcK_ID C00009494 | + | KNApSAcK_ID C00009494 |
| − | NAME 6-(1,1-Dimethylallyl)genistein | + | NAME 6-(1,1-Dimethylallyl)genistein |
| − | CAS_RN 77390-42-2 | + | CAS_RN 77390-42-2 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES C=CC(C)(C)c(c(O)1)c(c(C2=O)c(OC=C2c(c3)ccc(O)c3)c1)O | + | SMILES C=CC(C)(C)c(c(O)1)c(c(C2=O)c(OC=C2c(c3)ccc(O)c3)c1)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/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.7270 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2438 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2833 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 -0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 -1.0883 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
8 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
22 25 2 0 0 0 0
S SKP 8
ID FLIAAANI0002
KNApSAcK_ID C00009494
NAME 6-(1,1-Dimethylallyl)genistein
CAS_RN 77390-42-2
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C=CC(C)(C)c(c(O)1)c(c(C2=O)c(OC=C2c(c3)ccc(O)c3)c1)O
M END
