Mol:FL3F99NS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 21 0 0 0 0 0 0 0 0999 V2000 | + | 19 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7813 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7813 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7813 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7813 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2809 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2809 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7804 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7804 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7804 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7804 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2809 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2809 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2205 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2205 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2205 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2205 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7206 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7206 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2510 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2510 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7813 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7813 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7813 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7813 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2510 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2510 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7206 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7206 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2809 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2809 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2809 0.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2809 0.9849 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F99NS0002 | + | ID FL3F99NS0002 |
| − | KNApSAcK_ID C00001085 | + | KNApSAcK_ID C00001085 |
| − | NAME Primetin | + | NAME Primetin |
| − | CAS_RN 548-58-3 | + | CAS_RN 548-58-3 |
| − | FORMULA C15H10O4 | + | FORMULA C15H10O4 |
| − | EXACTMASS 254.05790880799998 | + | EXACTMASS 254.05790880799998 |
| − | AVERAGEMASS 254.2375 | + | AVERAGEMASS 254.2375 |
| − | SMILES Oc(c3)c(O1)c(c(O)c3)C(=O)C=C1c(c2)cccc2 | + | SMILES Oc(c3)c(O1)c(c(O)c3)C(=O)C=C1c(c2)cccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-1.7813 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7813 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7206 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2510 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7813 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7813 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2510 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7206 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 0.9849 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
9 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
6 19 1 0 0 0 0
S SKP 8
ID FL3F99NS0002
KNApSAcK_ID C00001085
NAME Primetin
CAS_RN 548-58-3
FORMULA C15H10O4
EXACTMASS 254.05790880799998
AVERAGEMASS 254.2375
SMILES Oc(c3)c(O1)c(c(O)c3)C(=O)C=C1c(c2)cccc2
M END
