Mol:FL5FFAGS0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.7978 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7978 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7978 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7978 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0834 -1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0834 -1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3689 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3689 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3689 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3689 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0834 -0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0834 -0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6545 -1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6545 -1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9400 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9400 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9400 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9400 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6545 -0.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6545 -0.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6545 -2.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6545 -2.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0404 -0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0404 -0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6877 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6877 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4159 -0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4159 -0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4159 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4159 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6877 1.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6877 1.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0404 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0404 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0834 -2.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0834 -2.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1952 1.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1952 1.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2166 -2.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2166 -2.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6513 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6513 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0834 0.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0834 0.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7250 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7250 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9104 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9104 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3807 1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3807 1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0098 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0098 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8878 1.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8878 1.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4264 1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4264 1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2178 2.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2178 2.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3019 2.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3019 2.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4724 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4724 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2113 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2113 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8250 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8250 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5679 1.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5679 1.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3154 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3154 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7017 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7017 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9587 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9587 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6807 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6807 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3692 2.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3692 2.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3019 1.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3019 1.5997 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 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 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 33 19 1 0 0 0 0 | + | 33 19 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0016 | + | ID FL5FFAGS0016 |
| − | FORMULA C25H26O15 | + | FORMULA C25H26O15 |
| − | EXACTMASS 566.127170162 | + | EXACTMASS 566.127170162 |
| − | AVERAGEMASS 566.46494 | + | AVERAGEMASS 566.46494 |
| − | SMILES c(OC(C5O)OCC(O)C5O)(c4)ccc(c4)C(=C3O)Oc(c(C3=O)2)c(c(O)cc2O)OC(O1)C(O)C(O)C(O)C1 | + | SMILES c(OC(C5O)OCC(O)C5O)(c4)ccc(c4)C(=C3O)Oc(c(C3=O)2)c(c(O)cc2O)OC(O1)C(O)C(O)C(O)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-3.7978 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7978 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0834 -1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3689 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3689 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0834 -0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6545 -1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9400 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9400 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6545 -0.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6545 -2.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0404 -0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6877 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4159 -0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4159 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6877 1.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0404 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0834 -2.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1952 1.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2166 -2.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6513 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0834 0.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7250 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9104 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3807 1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0098 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8878 1.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4264 1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2178 2.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3019 2.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4724 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2113 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8250 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5679 1.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7017 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9587 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6807 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3692 2.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3019 1.5997 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 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
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
33 19 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 5
ID FL5FFAGS0016
FORMULA C25H26O15
EXACTMASS 566.127170162
AVERAGEMASS 566.46494
SMILES c(OC(C5O)OCC(O)C5O)(c4)ccc(c4)C(=C3O)Oc(c(C3=O)2)c(c(O)cc2O)OC(O1)C(O)C(O)C(O)C1
M END
