Mol:FL5FFAGS0024
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 43 0 0 0 0 0 0 0 0999 V2000 | + | 40 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7091 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7091 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7091 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7091 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9946 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9946 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2801 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2801 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2801 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2801 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9946 -1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9946 -1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4344 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4344 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1489 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1489 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1489 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1489 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4344 -1.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4344 -1.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4344 -3.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4344 -3.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8632 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8632 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5915 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5915 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3197 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3197 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3197 -0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3197 -0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5915 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5915 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8632 -0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8632 -0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9946 -3.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9946 -3.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3392 0.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3392 0.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3448 -1.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3448 -1.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9373 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9373 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9946 -0.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9946 -0.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4245 1.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4245 1.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7311 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7311 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1566 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8193 0.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8193 0.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6430 0.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6430 0.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2177 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2177 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8310 2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8310 2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1340 1.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1340 1.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3050 -0.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3050 -0.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9450 1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9450 1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2852 2.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2852 2.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3392 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3392 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1211 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1211 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4002 0.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4002 0.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5287 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5287 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8310 3.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8310 3.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1545 3.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1545 3.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3783 3.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3783 3.4324 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 |
| − | 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 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 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 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 29 38 1 0 0 0 0 | + | 29 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 38 40 2 0 0 0 0 | + | 38 40 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0024 | + | ID FL5FFAGS0024 |
| − | FORMULA C26H24O14 | + | FORMULA C26H24O14 |
| − | EXACTMASS 560.116605476 | + | EXACTMASS 560.116605476 |
| − | AVERAGEMASS 560.46036 | + | AVERAGEMASS 560.46036 |
| − | SMILES CC(=O)OC(C(OC(C)=O)4)C(OC(C)=O)C(OC4)Oc(c(O)3)c(O1)c(c(c3)O)C(C(=C1c(c2)ccc(O)c2)O)=O | + | SMILES CC(=O)OC(C(OC(C)=O)4)C(OC(C)=O)C(OC4)Oc(c(O)3)c(O1)c(c(c3)O)C(C(=C1c(c2)ccc(O)c2)O)=O |
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 43 0 0 0 0 0 0 0 0999 V2000
-1.7091 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7091 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9946 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2801 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2801 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9946 -1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4344 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1489 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1489 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4344 -1.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4344 -3.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8632 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5915 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3197 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3197 -0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5915 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8632 -0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9946 -3.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3392 0.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3448 -1.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9373 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9946 -0.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4245 1.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7311 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8193 0.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 0.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2177 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8310 2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1340 1.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3050 -0.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9450 1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2852 2.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3392 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1211 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4002 0.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5287 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8310 3.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1545 3.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3783 3.4324 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 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
22 26 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
31 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
29 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 2 0 0 0 0
S SKP 5
ID FL5FFAGS0024
FORMULA C26H24O14
EXACTMASS 560.116605476
AVERAGEMASS 560.46036
SMILES CC(=O)OC(C(OC(C)=O)4)C(OC(C)=O)C(OC4)Oc(c(O)3)c(O1)c(c(c3)O)C(C(=C1c(c2)ccc(O)c2)O)=O
M END
