Mol:FL5F2CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.7110 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F2CNS0001 | + | ID FL5F2CNS0001 |
| − | KNApSAcK_ID C00004658 | + | KNApSAcK_ID C00004658 |
| − | NAME Rhynchosin | + | NAME Rhynchosin |
| − | CAS_RN 74514-47-9 | + | CAS_RN 74514-47-9 |
| − | FORMULA C15H10O7 | + | FORMULA C15H10O7 |
| − | EXACTMASS 302.042652674 | + | EXACTMASS 302.042652674 |
| − | AVERAGEMASS 302.2357 | + | AVERAGEMASS 302.2357 |
| − | SMILES Oc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c(O)2)1 | + | SMILES Oc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c(O)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.7110 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
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 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 12 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
16 22 1 0 0 0 0
S SKP 8
ID FL5F2CNS0001
KNApSAcK_ID C00004658
NAME Rhynchosin
CAS_RN 74514-47-9
FORMULA C15H10O7
EXACTMASS 302.042652674
AVERAGEMASS 302.2357
SMILES Oc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c(O)2)1
M END
