Mol:FL5FAHGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4723 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4723 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7578 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7578 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7578 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7578 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4723 2.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4723 2.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1867 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1867 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1867 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1867 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0433 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0433 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6711 1.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6711 1.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3856 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3856 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3856 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3856 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6711 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6711 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0433 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0433 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1001 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1001 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8145 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8145 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8145 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8145 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1001 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1001 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6711 -1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6711 -1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5290 1.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5290 1.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7578 -0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7578 -0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1001 -1.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1001 -1.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9012 2.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9012 2.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4723 3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4723 3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8647 0.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8647 0.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5290 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5290 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7877 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7877 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3963 -3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3963 -3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7877 -1.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7877 -1.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7642 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7642 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1530 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1530 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3963 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3963 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1937 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1937 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1530 -2.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1530 -2.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5978 -3.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5978 -3.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 30 25 1 1 0 0 0 | + | 30 25 1 1 0 0 0 |
| − | 29 25 1 1 0 0 0 | + | 29 25 1 1 0 0 0 |
| − | 28 30 1 1 0 0 0 | + | 28 30 1 1 0 0 0 |
| − | 30 26 1 0 0 0 0 | + | 30 26 1 0 0 0 0 |
| − | 31 28 1 0 0 0 0 | + | 31 28 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAHGS0004 | + | ID FL5FAHGS0004 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES O(C(=C3c(c4)cc(OC)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O | + | SMILES O(C(=C3c(c4)cc(OC)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
1.4723 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7578 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7578 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 2.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1867 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1867 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0433 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6711 1.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3856 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3856 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6711 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0433 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1001 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8145 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8145 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1001 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6711 -1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5290 1.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7578 -0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1001 -1.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9012 2.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8647 0.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5290 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7877 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7877 -1.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7642 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1530 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1937 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1530 -2.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5978 -3.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
30 25 1 1 0 0 0
29 25 1 1 0 0 0
28 30 1 1 0 0 0
30 26 1 0 0 0 0
31 28 1 0 0 0 0
29 31 1 0 0 0 0
25 27 1 0 0 0 0
29 32 1 0 0 0 0
32 33 1 0 0 0 0
19 28 1 0 0 0 0
S SKP 5
ID FL5FAHGS0004
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES O(C(=C3c(c4)cc(OC)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O
M END
