Mol:FL5FA9NI0002
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 |
| − | -1.1253 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1253 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1253 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1253 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5690 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5690 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0127 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0127 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0127 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0127 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5690 0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5690 0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5436 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5436 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0999 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0999 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0999 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0999 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5436 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5436 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5436 -0.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5436 -0.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6560 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6560 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2230 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2230 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7900 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7900 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7900 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7900 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2230 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2230 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6560 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6560 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5684 -0.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5684 -0.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7370 0.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7370 0.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6797 -0.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6797 -0.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6814 -0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6814 -0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6814 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6814 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2363 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2363 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2363 -1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2363 -1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7900 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7900 -0.9744 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 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 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA9NI0002 | + | ID FL5FA9NI0002 |
| − | KNApSAcK_ID C00004988 | + | KNApSAcK_ID C00004988 |
| − | NAME 3,5,7-Trihydroxy-6-prenylflavone | + | NAME 3,5,7-Trihydroxy-6-prenylflavone |
| − | CAS_RN 51948-71-1 | + | CAS_RN 51948-71-1 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES C(c(c3O)c(O)cc(c32)OC(=C(C2=O)O)c(c1)cccc1)C=C(C)C | + | SMILES C(c(c3O)c(O)cc(c32)OC(=C(C2=O)O)c(c1)cccc1)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
-1.1253 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1253 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5690 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0127 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0127 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5690 0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5436 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0999 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0999 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5436 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5436 -0.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6560 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2230 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7900 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7900 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2230 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6560 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5684 -0.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7370 0.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6797 -0.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 -0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2363 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2363 -1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 -0.9744 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
18 3 1 0 0 0 0
19 1 1 0 0 0 0
8 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FL5FA9NI0002
KNApSAcK_ID C00004988
NAME 3,5,7-Trihydroxy-6-prenylflavone
CAS_RN 51948-71-1
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C(c(c3O)c(O)cc(c32)OC(=C(C2=O)O)c(c1)cccc1)C=C(C)C
M END
