Mol:FL2F19NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5674 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5674 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5674 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5674 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0111 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0111 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5452 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5452 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5452 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5452 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0111 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0111 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1015 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1015 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6578 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6578 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6578 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6578 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1015 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1015 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2139 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2139 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7809 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7809 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3479 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3479 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7809 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7809 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2139 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2139 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1015 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1015 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1235 0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1235 0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7918 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7918 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7918 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7918 -0.5400 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F19NI0001 | + | ID FL2F19NI0001 |
| − | KNApSAcK_ID C00008131 | + | KNApSAcK_ID C00008131 |
| − | NAME Isoderricidin | + | NAME Isoderricidin |
| − | CAS_RN 38965-76-3 | + | CAS_RN 38965-76-3 |
| − | FORMULA C20H20O3 | + | FORMULA C20H20O3 |
| − | EXACTMASS 308.141244506 | + | EXACTMASS 308.141244506 |
| − | AVERAGEMASS 308.371 | + | AVERAGEMASS 308.371 |
| − | SMILES C(C3)(Oc(c2C(=O)3)cc(OCC=C(C)C)cc2)c(c1)cccc1 | + | SMILES C(C3)(Oc(c2C(=O)3)cc(OCC=C(C)C)cc2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-0.5674 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5674 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0111 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5452 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5452 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0111 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1015 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1015 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2139 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7809 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3479 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7809 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2139 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1015 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1235 0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 -0.5400 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
S SKP 8
ID FL2F19NI0001
KNApSAcK_ID C00008131
NAME Isoderricidin
CAS_RN 38965-76-3
FORMULA C20H20O3
EXACTMASS 308.141244506
AVERAGEMASS 308.371
SMILES C(C3)(Oc(c2C(=O)3)cc(OCC=C(C)C)cc2)c(c1)cccc1
M END
