Mol:FLIB1LNI0001
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6966 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6957 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6957 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6957 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6957 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3052 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3052 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3052 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3052 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 0.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 0.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1968 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1968 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 -1.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 -1.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8053 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8053 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2694 -1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2694 -1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7335 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7335 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7335 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7335 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2694 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2694 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1968 -1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1968 -1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3421 -1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3421 -1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1959 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1959 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1962 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1962 1.8460 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 2 0 0 0 0 | + | 18 13 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNI0001 | + | ID FLIB1LNI0001 |
| − | KNApSAcK_ID C00002523 | + | KNApSAcK_ID C00002523 |
| − | NAME (+-)-5-Deoxykievitone | + | NAME (+-)-5-Deoxykievitone |
| − | CAS_RN 74161-24-3 | + | CAS_RN 74161-24-3 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES C(c(c1O)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)cc1)C=C(C)C | + | SMILES C(c(c1O)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)cc1)C=C(C)C |
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 27 0 0 0 0 0 0 0 0999 V2000
-1.6966 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 0.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 -1.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 -1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3421 -1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1959 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 1.8460 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
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 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 17 2 0 0 0 0
17 18 1 0 0 0 0
18 13 2 0 0 0 0
16 19 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FLIB1LNI0001
KNApSAcK_ID C00002523
NAME (+-)-5-Deoxykievitone
CAS_RN 74161-24-3
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES C(c(c1O)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)cc1)C=C(C)C
M END
