Mol:FL7DUNNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8183 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8183 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8183 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8183 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3360 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3360 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8537 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8537 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8537 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8537 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3360 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3360 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3715 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3715 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1108 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1108 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1108 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1108 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3715 0.1310 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3715 0.1310 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6404 -0.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6404 -0.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9677 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9677 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6404 0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6404 0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5216 -0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5216 -0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7481 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7481 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4208 0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4208 0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8669 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8669 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3005 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3005 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3005 -0.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3005 -0.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3005 0.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3005 0.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5404 0.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5404 0.9828 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 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 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 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 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 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 13 1 0 0 0 0 | + | 17 13 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7DUNNS0001 | + | ID FL7DUNNS0001 |
| − | KNApSAcK_ID C00002388 | + | KNApSAcK_ID C00002388 |
| − | NAME Riccionidin A | + | NAME Riccionidin A |
| − | CAS_RN 155518-34-6 | + | CAS_RN 155518-34-6 |
| − | FORMULA C15H9O6 | + | FORMULA C15H9O6 |
| − | EXACTMASS 285.03991302 | + | EXACTMASS 285.03991302 |
| − | AVERAGEMASS 285.22836 | + | AVERAGEMASS 285.22836 |
| − | SMILES Oc(c4)cc(o1)c(c(O)4)c([o+1]2)c(cc(c3)c(cc(O)c(O)3)2)1 | + | SMILES Oc(c4)cc(o1)c(c(O)4)c([o+1]2)c(cc(c3)c(cc(O)c(O)3)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-1.8183 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8183 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3360 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8537 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8537 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3360 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3715 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1108 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1108 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3715 0.1310 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.6404 -0.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9677 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6404 0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5216 -0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7481 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4208 0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8669 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3005 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3005 -0.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3005 0.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5404 0.9828 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 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 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 9 1 0 0 0 0
12 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 13 1 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
15 20 1 0 0 0 0
17 21 1 0 0 0 0
S SKP 8
ID FL7DUNNS0001
KNApSAcK_ID C00002388
NAME Riccionidin A
CAS_RN 155518-34-6
FORMULA C15H9O6
EXACTMASS 285.03991302
AVERAGEMASS 285.22836
SMILES Oc(c4)cc(o1)c(c(O)4)c([o+1]2)c(cc(c3)c(cc(O)c(O)3)2)1
M END
