Mol:FL1CHYNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6765 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6765 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6765 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6765 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1202 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1202 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5639 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5639 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5639 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5639 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1202 1.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1202 1.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0076 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0076 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5487 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5487 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1048 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1048 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6609 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6609 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2219 0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2219 0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7829 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7829 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7829 1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7829 1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2219 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2219 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6609 1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6609 1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0076 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0076 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1048 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1048 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2328 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2328 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2328 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2328 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7889 -0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7889 -0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3438 -0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3438 -0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7889 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7889 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2326 1.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2326 1.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0078 1.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0078 1.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3438 1.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3438 1.4483 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 18 2 1 0 0 0 0 | + | 18 2 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNI0002 | + | ID FL1CHYNI0002 |
| − | KNApSAcK_ID C00007004 | + | KNApSAcK_ID C00007004 |
| − | NAME 5'-Prenyllicodione | + | NAME 5'-Prenyllicodione |
| − | CAS_RN 107390-47-6 | + | CAS_RN 107390-47-6 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES c(c1)(C(CC(=O)c(c2)ccc(O)c2)=O)c(cc(O)c1CC=C(C)C)O | + | SMILES c(c1)(C(CC(=O)c(c2)ccc(O)c2)=O)c(cc(O)c1CC=C(C)C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
-1.6765 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6765 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1202 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5639 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5639 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1202 1.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5487 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1048 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6609 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2219 0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7829 0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7829 1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2219 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6609 1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1048 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2328 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2328 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7889 -0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3438 -0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7889 -1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2326 1.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0078 1.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3438 1.4483 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 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
9 17 2 0 0 0 0
18 2 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
1 23 1 0 0 0 0
5 24 1 0 0 0 0
13 25 1 0 0 0 0
S SKP 8
ID FL1CHYNI0002
KNApSAcK_ID C00007004
NAME 5'-Prenyllicodione
CAS_RN 107390-47-6
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES c(c1)(C(CC(=O)c(c2)ccc(O)c2)=O)c(cc(O)c1CC=C(C)C)O
M END
