Mol:FL3FCACS0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.3767 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3767 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3767 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3767 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6680 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6680 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0407 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0407 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6680 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6680 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7494 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7494 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4581 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4581 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4581 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4581 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7494 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7494 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7494 -1.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7494 -1.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6680 -1.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6680 -1.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3242 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3242 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0710 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0710 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8179 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8179 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8179 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8179 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0710 1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0710 1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3242 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3242 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5642 1.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5642 1.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4028 -0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4028 -0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7460 -1.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7460 -1.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0890 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0890 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1957 -1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1957 -1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8263 -0.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8263 -0.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5358 -0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5358 -0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3860 0.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3860 0.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5642 -1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5642 -1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2167 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2167 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8319 0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8319 0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4690 1.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4690 1.9686 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 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 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 33 0.4552 -0.7882 | + | M SBV 1 33 0.4552 -0.7882 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCACS0001 | + | ID FL3FCACS0001 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES c(C(=O)4)(c(OC(=C4)c(c3)ccc(O)c3)2)c(c(c(OC)c2)C(C(O)1)OCC(O)C1O)O | + | SMILES c(C(=O)4)(c(OC(=C4)c(c3)ccc(O)c3)2)c(c(c(OC)c2)C(C(O)1)OCC(O)C1O)O |
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
-1.3767 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3767 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7494 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4581 -0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4581 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7494 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7494 -1.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 -1.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3242 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0710 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8179 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8179 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0710 1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3242 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5642 1.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4028 -0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7460 -1.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0890 -1.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1957 -1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8263 -0.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5358 -0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3860 0.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5642 -1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2167 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8319 0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4690 1.9686 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
7 11 2 0 0 0 0
3 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
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
2 23 1 0 0 0 0
29 30 1 0 0 0 0
1 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 ^ OCH3
M SBV 1 33 0.4552 -0.7882
S SKP 5
ID FL3FCACS0001
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES c(C(=O)4)(c(OC(=C4)c(c3)ccc(O)c3)2)c(c(c(OC)c2)C(C(O)1)OCC(O)C1O)O
M END
