Mol:FL3F98NS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9576 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9576 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9576 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9576 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4013 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4013 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8450 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8450 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8450 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8450 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4013 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4013 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2887 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2887 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2676 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2676 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2676 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2676 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2887 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2887 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2887 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2887 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8237 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8237 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9576 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9576 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9576 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9576 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8237 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8237 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4013 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4013 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 1.7816 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F98NS0009 | + | ID FL3F98NS0009 |
| − | KNApSAcK_ID C00003823 | + | KNApSAcK_ID C00003823 |
| − | NAME 5,2',5'-Trihydroxyflavone | + | NAME 5,2',5'-Trihydroxyflavone |
| − | CAS_RN 120552-44-5 | + | CAS_RN 120552-44-5 |
| − | FORMULA C15H10O5 | + | FORMULA C15H10O5 |
| − | EXACTMASS 270.05282343 | + | EXACTMASS 270.05282343 |
| − | AVERAGEMASS 270.2369 | + | AVERAGEMASS 270.2369 |
| − | SMILES Oc(c3)cc(c(O)c3)C(=C1)Oc(c2)c(c(O)cc2)C(=O)1 | + | SMILES Oc(c3)cc(c(O)c3)C(=C1)Oc(c2)c(c(O)cc2)C(=O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.9576 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 1.7816 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
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
3 18 1 0 0 0 0
13 19 1 0 0 0 0
16 20 1 0 0 0 0
S SKP 8
ID FL3F98NS0009
KNApSAcK_ID C00003823
NAME 5,2',5'-Trihydroxyflavone
CAS_RN 120552-44-5
FORMULA C15H10O5
EXACTMASS 270.05282343
AVERAGEMASS 270.2369
SMILES Oc(c3)cc(c(O)c3)C(=C1)Oc(c2)c(c(O)cc2)C(=O)1
M END
