Mol:FLIB1LNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7248 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7248 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7248 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7248 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1685 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1685 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6122 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6122 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6122 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6122 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1685 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1685 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0559 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0559 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5004 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5004 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5004 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5004 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0559 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0559 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0565 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0565 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0565 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0565 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6513 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6513 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2461 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2461 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2461 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2461 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6513 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6513 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0559 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0559 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8356 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8356 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2809 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2809 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1685 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1685 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7246 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7246 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7246 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7246 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1685 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1685 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2807 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2807 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6513 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6513 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8356 1.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8356 1.8002 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNI0003 | + | ID FLIB1LNI0003 |
| − | KNApSAcK_ID C00009965 | + | KNApSAcK_ID C00009965 |
| − | NAME 5-Deoxykievitol | + | NAME 5-Deoxykievitol |
| − | CAS_RN 104380-54-3 | + | CAS_RN 104380-54-3 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES c(c1)c(c(CC=C(CO)C)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)1)O | + | SMILES c(c1)c(c(CC=C(CO)C)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.7248 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7248 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6122 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6122 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5004 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5004 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0565 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0565 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2461 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2461 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8356 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2809 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7246 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7246 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1685 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8356 1.8002 0.0000 O 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FLIB1LNI0003
KNApSAcK_ID C00009965
NAME 5-Deoxykievitol
CAS_RN 104380-54-3
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c1)c(c(CC=C(CO)C)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)1)O
M END
