Mol:FL1C19NF0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6000 1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6000 1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6000 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6000 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0437 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0437 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4874 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4874 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4874 1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4874 1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0437 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0437 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0689 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0689 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6252 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6252 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1813 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1813 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7374 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7374 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2984 0.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2984 0.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8594 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8594 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8594 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8594 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2984 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2984 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7374 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7374 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0689 -0.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0689 -0.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0774 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0774 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8161 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8161 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1773 -0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1773 -0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1779 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1779 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8594 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8594 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5196 -1.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5196 -1.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8256 -1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8256 -1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1561 1.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1561 1.4719 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 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 |
| − | 2 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 3 1 0 0 0 0 | + | 19 3 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 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 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C19NF0004 | + | ID FL1C19NF0004 |
| − | KNApSAcK_ID C00007047 | + | KNApSAcK_ID C00007047 |
| − | NAME Flemistrictin E | + | NAME Flemistrictin E |
| − | CAS_RN 84435-29-0 | + | CAS_RN 84435-29-0 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES c(c2)c(O)c(c(c2C(=O)C=Cc(c3)cccc3)1)CC(C(C)(C)O)O1 | + | SMILES c(c2)c(O)c(c(c2C(=O)C=Cc(c3)cccc3)1)CC(C(C)(C)O)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.6000 1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6000 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0437 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4874 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4874 1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0437 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0689 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6252 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1813 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7374 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2984 0.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8594 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8594 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2984 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7374 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0689 -0.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0774 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8161 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1773 -0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1779 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5196 -1.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8256 -1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1561 1.4719 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 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
2 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 3 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
1 24 1 0 0 0 0
S SKP 8
ID FL1C19NF0004
KNApSAcK_ID C00007047
NAME Flemistrictin E
CAS_RN 84435-29-0
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES c(c2)c(O)c(c(c2C(=O)C=Cc(c3)cccc3)1)CC(C(C)(C)O)O1
M END
