Mol:FLIAFLNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -1.4781 0.0000 O 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 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAFLNS0002 | + | ID FLIAFLNS0002 |
| − | KNApSAcK_ID C00009867 | + | KNApSAcK_ID C00009867 |
| − | NAME 5,7,8,2',4'-Pentahydroxyisoflavone | + | NAME 5,7,8,2',4'-Pentahydroxyisoflavone |
| − | CAS_RN 104363-16-8 | + | CAS_RN 104363-16-8 |
| − | FORMULA C15H10O7 | + | FORMULA C15H10O7 |
| − | EXACTMASS 302.042652674 | + | EXACTMASS 302.042652674 |
| − | AVERAGEMASS 302.2357 | + | AVERAGEMASS 302.2357 |
| − | SMILES Oc(c3)cc(O)c(c3)C(=C2)C(=O)c(c(O)1)c(O2)c(O)c(O)c1 | + | SMILES Oc(c3)cc(O)c(c3)C(=C2)C(=O)c(c(O)1)c(O2)c(O)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.0045 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.4781 0.0000 O 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 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 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
16 21 1 0 0 0 0
14 22 1 0 0 0 0
S SKP 8
ID FLIAFLNS0002
KNApSAcK_ID C00009867
NAME 5,7,8,2',4'-Pentahydroxyisoflavone
CAS_RN 104363-16-8
FORMULA C15H10O7
EXACTMASS 302.042652674
AVERAGEMASS 302.2357
SMILES Oc(c3)cc(O)c(c3)C(=C2)C(=O)c(c(O)1)c(O2)c(O)c(O)c1
M END
