Mol:FL2FQUNR0001
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 |
| − | -1.1891 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1891 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1891 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1891 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6328 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6328 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0765 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0765 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0765 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0765 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6328 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6328 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4798 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4798 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0361 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0361 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0361 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0361 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4798 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4798 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5922 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5922 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1592 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1592 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7262 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7262 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7262 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7262 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1592 1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1592 1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5922 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5922 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4798 -1.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4798 -1.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6328 -1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6328 -1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6328 1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6328 1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8471 -0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8471 -0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1791 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1791 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1390 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1390 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6690 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6690 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7262 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7262 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2922 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2922 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9109 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9109 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5330 0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5330 0.3275 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 1 0 0 0 0 | + | 2 3 1 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 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 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 2 20 1 6 0 0 0 | + | 2 20 1 6 0 0 0 |
| − | 6 22 1 6 0 0 0 | + | 6 22 1 6 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 26 25 1 0 0 0 0 | + | 26 25 1 0 0 0 0 |
| − | 1 27 2 0 0 0 0 | + | 1 27 2 0 0 0 0 |
| − | 3 21 1 6 0 0 0 | + | 3 21 1 6 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FQUNR0001 | + | ID FL2FQUNR0001 |
| − | KNApSAcK_ID C00008371 | + | KNApSAcK_ID C00008371 |
| − | NAME Louisfieserone A | + | NAME Louisfieserone A |
| − | CAS_RN 66641-50-7 | + | CAS_RN 66641-50-7 |
| − | FORMULA C22H24O5 | + | FORMULA C22H24O5 |
| − | EXACTMASS 368.162373878 | + | EXACTMASS 368.162373878 |
| − | AVERAGEMASS 368.42296000000005 | + | AVERAGEMASS 368.42296000000005 |
| − | SMILES CC(C(C)(C)5)(C(=O)3)C(O1)=C(C(C54)(C(OC4)3C)O)C(=O)CC1c(c2)cccc2 | + | SMILES CC(C(C)(C)5)(C(=O)3)C(O1)=C(C(C54)(C(OC4)3C)O)C(=O)CC1c(c2)cccc2 |
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
-1.1891 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1891 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0765 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0765 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4798 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4798 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5922 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7262 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7262 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5922 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4798 -1.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 -1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8471 -0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1791 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1390 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7262 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2922 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9109 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5330 0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 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 1 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 6 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
6 19 1 0 0 0 0
2 20 1 6 0 0 0
6 22 1 6 0 0 0
22 21 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
21 26 1 0 0 0 0
26 25 1 0 0 0 0
1 27 2 0 0 0 0
3 21 1 6 0 0 0
2 25 1 0 0 0 0
S SKP 8
ID FL2FQUNR0001
KNApSAcK_ID C00008371
NAME Louisfieserone A
CAS_RN 66641-50-7
FORMULA C22H24O5
EXACTMASS 368.162373878
AVERAGEMASS 368.42296000000005
SMILES CC(C(C)(C)5)(C(=O)3)C(O1)=C(C(C54)(C(OC4)3C)O)C(=O)CC1c(c2)cccc2
M END
