Mol:FLIAACNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 31 0 0 0 0 0 0 0 0999 V2000 | + | 27 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3906 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3906 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3906 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3906 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8343 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8343 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2780 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2780 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2780 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2780 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8343 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8343 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2783 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2783 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8346 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8346 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8346 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8346 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2783 1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2783 1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 -0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 -0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9855 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9855 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5803 -0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5803 -0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5803 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5803 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9855 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9855 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2783 -0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2783 -0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8343 -0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8343 -0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1057 -0.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1057 -0.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9467 1.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9467 1.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1283 -1.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1283 -1.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8113 -1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8113 -1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5032 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5032 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5032 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5032 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9469 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9469 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8448 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8448 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1057 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1057 1.0727 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 2 1 0 0 0 0 | + | 25 2 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACNP0002 | + | ID FLIAACNP0002 |
| − | KNApSAcK_ID C00009503 | + | KNApSAcK_ID C00009503 |
| − | NAME Robustone | + | NAME Robustone |
| − | CAS_RN 22044-56-0 | + | CAS_RN 22044-56-0 |
| − | FORMULA C21H16O6 | + | FORMULA C21H16O6 |
| − | EXACTMASS 364.094688244 | + | EXACTMASS 364.094688244 |
| − | AVERAGEMASS 364.34814 | + | AVERAGEMASS 364.34814 |
| − | SMILES O(C1)c(c2)c(ccc(C(=C5)C(c(c4O)c(O5)cc(c34)OC(C=C3)(C)C)=O)2)O1 | + | SMILES O(C1)c(c2)c(ccc(C(=C5)C(c(c4O)c(O5)cc(c34)OC(C=C3)(C)C)=O)2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 31 0 0 0 0 0 0 0 0999 V2000
-1.3906 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3906 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8343 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8343 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9855 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5803 -0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5803 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9855 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 -0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8343 -0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1057 -0.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9467 1.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 -1.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8113 -1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5032 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5032 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9469 0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8448 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1057 1.0727 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
8 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
14 19 1 0 0 0 0
1 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 19 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 2 1 0 0 0 0
23 26 1 0 0 0 0
23 27 1 0 0 0 0
S SKP 8
ID FLIAACNP0002
KNApSAcK_ID C00009503
NAME Robustone
CAS_RN 22044-56-0
FORMULA C21H16O6
EXACTMASS 364.094688244
AVERAGEMASS 364.34814
SMILES O(C1)c(c2)c(ccc(C(=C5)C(c(c4O)c(O5)cc(c34)OC(C=C3)(C)C)=O)2)O1
M END
