Mol:FL3FAACS0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7288 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7288 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7288 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7288 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9771 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9771 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2255 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2255 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2255 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2255 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9771 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9771 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5261 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5261 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2778 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2778 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2778 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2778 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5261 0.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5261 0.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9771 -1.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9771 -1.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4801 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4801 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0352 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0352 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7495 0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7495 0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4640 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4640 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4640 1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4640 1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7495 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7495 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0352 1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0352 1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1783 1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1783 1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5261 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5261 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9383 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9383 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1468 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1468 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8632 -0.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8632 -0.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2644 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2644 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0560 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0560 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3396 -0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3396 -0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1783 0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1783 0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6246 0.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6246 0.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1375 -0.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1375 -0.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3710 -1.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3710 -1.7423 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0007 | + | ID FL3FAACS0007 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(O)C2O)O)c1 | + | SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(O)C2O)O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.7288 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7288 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9771 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2255 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2255 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9771 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5261 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2778 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2778 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5261 0.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9771 -1.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4801 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0352 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7495 0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4640 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4640 1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7495 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0352 1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1783 1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5261 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9383 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8632 -0.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2644 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0560 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3396 -0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1783 0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6246 0.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1375 -0.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3710 -1.7423 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 5 1 0 0 0 0
3 11 1 0 0 0 0
1 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
7 20 2 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 2 1 0 0 0 0
S SKP 5
ID FL3FAACS0007
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(O)C2O)O)c1
M END
