Mol:FL3F99NS0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 20 0 0 0 0 0 0 0 0999 V2000 | + | 18 20 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9576 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9576 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9576 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9576 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4013 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4013 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4013 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4013 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2676 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2676 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2676 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2676 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2887 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2887 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4013 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4013 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2887 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2887 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8237 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8237 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8237 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8237 1.1270 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 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F99NS0003 | + | ID FL3F99NS0003 |
| − | KNApSAcK_ID C00003788 | + | KNApSAcK_ID C00003788 |
| − | NAME Primuletin | + | NAME Primuletin |
| − | CAS_RN 491-78-1 | + | CAS_RN 491-78-1 |
| − | FORMULA C15H10O3 | + | FORMULA C15H10O3 |
| − | EXACTMASS 238.062994186 | + | EXACTMASS 238.062994186 |
| − | AVERAGEMASS 238.2381 | + | AVERAGEMASS 238.2381 |
| − | SMILES Oc(c3)c(C(=O)2)c(cc3)OC(=C2)c(c1)cccc1 | + | SMILES Oc(c3)c(C(=O)2)c(cc3)OC(=C2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 20 0 0 0 0 0 0 0 0999 V2000
-1.9576 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 1.1270 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
3 11 1 0 0 0 0
7 12 2 0 0 0 0
9 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
S SKP 8
ID FL3F99NS0003
KNApSAcK_ID C00003788
NAME Primuletin
CAS_RN 491-78-1
FORMULA C15H10O3
EXACTMASS 238.062994186
AVERAGEMASS 238.2381
SMILES Oc(c3)c(C(=O)2)c(cc3)OC(=C2)c(c1)cccc1
M END
