Mol:FL2FFANS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 5 7 1 6 0 0 0 | + | 5 7 1 6 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 7 1 0 0 0 0 | + | 12 7 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 16 2 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FFANS0001 | + | ID FL2FFANS0001 |
| − | KNApSAcK_ID C00008232 | + | KNApSAcK_ID C00008232 |
| − | NAME Isocarthamidin | + | NAME Isocarthamidin |
| − | CAS_RN 2569-76-8 | + | CAS_RN 2569-76-8 |
| − | FORMULA C15H12O6 | + | FORMULA C15H12O6 |
| − | EXACTMASS 288.063388116 | + | EXACTMASS 288.063388116 |
| − | AVERAGEMASS 288.25218 | + | AVERAGEMASS 288.25218 |
| − | SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc(O)2)C(=O)1 | + | SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc(O)2)C(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
5 7 1 6 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
1 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 2 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
10 20 1 0 0 0 0
3 21 2 0 0 0 0
S SKP 8
ID FL2FFANS0001
KNApSAcK_ID C00008232
NAME Isocarthamidin
CAS_RN 2569-76-8
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc(O)2)C(=O)1
M END
