Mol:FLIA1CNI0001
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8785 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8785 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8785 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8785 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3222 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3222 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2341 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2341 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2341 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2341 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3222 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3222 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7904 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7904 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3467 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3467 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3467 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3467 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7904 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7904 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9028 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9028 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9028 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9028 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4976 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4976 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0924 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0924 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0924 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0924 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4976 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4976 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7904 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7904 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4354 1.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4354 1.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6404 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6404 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3234 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3234 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6028 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6028 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9636 1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9636 1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5203 1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5203 1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0474 1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0474 1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6028 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6028 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0191 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0191 0.4857 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 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 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 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 FLIA1CNI0001 | + | ID FLIA1CNI0001 |
| − | KNApSAcK_ID C00009439 | + | KNApSAcK_ID C00009439 |
| − | NAME Maximaisoflavone B | + | NAME Maximaisoflavone B |
| − | CAS_RN 4737-28-4 | + | CAS_RN 4737-28-4 |
| − | FORMULA C21H18O5 | + | FORMULA C21H18O5 |
| − | EXACTMASS 350.115423686 | + | EXACTMASS 350.115423686 |
| − | AVERAGEMASS 350.36462 | + | AVERAGEMASS 350.36462 |
| − | SMILES O(C1)c(c2)c(ccc(C(C4=O)=COc(c43)cc(cc3)OCC=C(C)C)2)O1 | + | SMILES O(C1)c(c2)c(ccc(C(C4=O)=COc(c43)cc(cc3)OCC=C(C)C)2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-0.8785 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8785 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3222 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2341 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2341 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3222 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7904 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3467 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3467 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7904 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9028 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9028 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4976 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0924 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0924 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4976 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7904 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4354 1.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6404 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3234 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6028 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9636 1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5203 1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0474 1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6028 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0191 0.4857 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 2 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 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
1 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
18 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FLIA1CNI0001
KNApSAcK_ID C00009439
NAME Maximaisoflavone B
CAS_RN 4737-28-4
FORMULA C21H18O5
EXACTMASS 350.115423686
AVERAGEMASS 350.36462
SMILES O(C1)c(c2)c(ccc(C(C4=O)=COc(c43)cc(cc3)OCC=C(C)C)2)O1
M END
