Mol:FL3FECGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5292 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5292 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5292 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5292 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8280 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8280 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1269 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1269 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1269 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1269 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8280 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8280 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5740 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5740 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2752 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2752 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2752 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2752 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5740 1.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5740 1.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5740 -0.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5740 -0.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9760 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9760 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6905 1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6905 1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4050 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4050 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4050 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4050 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6905 2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6905 2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9760 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9760 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6905 3.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6905 3.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3223 2.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3223 2.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8280 -0.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8280 -0.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2287 1.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2287 1.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2287 -0.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2287 -0.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0524 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0524 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6548 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6548 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4961 -2.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4961 -2.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3306 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3306 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7279 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7279 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8867 -2.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8867 -2.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0462 -1.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0462 -1.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3223 -2.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3223 -2.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1517 -3.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1517 -3.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3292 -3.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3292 -3.7328 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 27 20 1 0 0 0 0 | + | 27 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0004 | + | ID FL3FECGS0004 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c4)c(cc(c(O)4)O)C(=C3)Oc(c(C(=O)3)1)cc(c(O)c1OC(O2)C(O)C(O)C(O)C(C)2)O | + | SMILES c(c4)c(cc(c(O)4)O)C(=C3)Oc(c(C(=O)3)1)cc(c(O)c1OC(O2)C(O)C(O)C(O)C(C)2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.5292 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5292 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8280 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1269 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1269 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8280 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5740 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2752 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2752 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5740 1.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5740 -0.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9760 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6905 1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4050 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4050 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6905 2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9760 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6905 3.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3223 2.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8280 -0.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2287 1.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2287 -0.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0524 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6548 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4961 -2.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3306 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7279 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8867 -2.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0462 -1.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3223 -2.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1517 -3.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3292 -3.7328 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 20 1 0 0 0 0
S SKP 5
ID FL3FECGS0004
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c4)c(cc(c(O)4)O)C(=C3)Oc(c(C(=O)3)1)cc(c(O)c1OC(O2)C(O)C(O)C(O)C(C)2)O
M END
