Mol:FLIE1ANF0001
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9707 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9707 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9707 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9707 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4143 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4143 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4143 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4143 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7454 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7454 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1893 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1893 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1893 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1893 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4054 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4054 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0002 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0002 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0002 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0002 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4054 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4054 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3000 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3000 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5270 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5270 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7454 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7454 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1893 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1893 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6534 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6534 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0571 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0571 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6534 0.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6534 0.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7432 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7432 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0863 -1.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0863 -1.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0863 0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0863 0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5270 -0.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5270 -0.4706 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 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 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 18 9 1 0 0 0 0 | + | 18 9 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 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 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANF0001 | + | ID FLIE1ANF0001 |
| − | KNApSAcK_ID C00010054 | + | KNApSAcK_ID C00010054 |
| − | NAME Bavacoumestan B | + | NAME Bavacoumestan B |
| − | CAS_RN 129385-64-4 | + | CAS_RN 129385-64-4 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(O)(c1)ccc(c52)c1OC(c(c(c4)c(o5)cc(c43)OC(C(C)(C)O)C3)2)=O | + | SMILES c(O)(c1)ccc(c52)c1OC(c(c(c4)c(o5)cc(c43)OC(C(C)(C)O)C3)2)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-2.9707 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9707 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4143 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4143 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1893 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1893 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4054 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0002 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0002 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4054 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3000 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5270 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1893 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0571 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 0.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7432 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0863 -1.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0863 0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5270 -0.4706 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 2 0 0 0 0
9 5 1 0 0 0 0
8 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 1 0 0 0 0
17 1 1 0 0 0 0
11 16 1 0 0 0 0
8 18 1 0 0 0 0
18 9 1 0 0 0 0
18 19 2 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 14 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FLIE1ANF0001
KNApSAcK_ID C00010054
NAME Bavacoumestan B
CAS_RN 129385-64-4
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(O)(c1)ccc(c52)c1OC(c(c(c4)c(o5)cc(c43)OC(C(C)(C)O)C3)2)=O
M END
