Mol:FL5FAAGS0032
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.3928 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3928 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3928 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3928 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6917 -1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6917 -1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9907 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9907 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9907 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9907 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6917 0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6917 0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2897 -1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2897 -1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5887 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5887 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5887 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5887 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2897 0.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2897 0.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2897 -2.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2897 -2.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8879 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8879 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1734 -0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1734 -0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5411 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5411 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5411 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5411 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1734 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1734 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8879 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8879 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6917 -2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6917 -2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0935 0.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0935 0.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2553 1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2553 1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7459 -1.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7459 -1.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0538 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0538 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9933 -1.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9933 -1.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9382 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9382 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4269 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4269 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4874 -1.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4874 -1.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1161 -1.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1161 -1.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9168 -0.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9168 -0.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1743 -1.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1743 -1.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5439 1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5439 1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0554 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0554 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9948 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9948 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9399 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9399 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4285 1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4285 1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4890 1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4890 1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7411 1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7411 1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0009 2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0009 2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0935 1.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0935 1.7924 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 32 20 1 0 0 0 0 | + | 32 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0032 | + | ID FL5FAAGS0032 |
| − | FORMULA C25H26O14 | + | FORMULA C25H26O14 |
| − | EXACTMASS 550.13225554 | + | EXACTMASS 550.13225554 |
| − | AVERAGEMASS 550.4655399999999 | + | AVERAGEMASS 550.4655399999999 |
| − | SMILES c(c2)c(ccc(C(O4)=C(OC(O5)C(O)C(O)C(O)C5)C(=O)c(c43)c(O)cc(O)c3)2)OC(C1O)OCC(O)C1O | + | SMILES c(c2)c(ccc(C(O4)=C(OC(O5)C(O)C(O)C(O)C5)C(=O)c(c43)c(O)cc(O)c3)2)OC(C1O)OCC(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-4.3928 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3928 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6917 -1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9907 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9907 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6917 0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2897 -1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5887 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5887 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2897 0.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2897 -2.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8879 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1734 -0.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1734 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8879 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6917 -2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0935 0.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2553 1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7459 -1.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0538 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 -1.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9382 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4269 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4874 -1.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1161 -1.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9168 -0.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1743 -1.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5439 1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0554 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9948 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9399 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4285 1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4890 1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7411 1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0009 2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0935 1.7924 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 20 1 0 0 0 0
S SKP 5
ID FL5FAAGS0032
FORMULA C25H26O14
EXACTMASS 550.13225554
AVERAGEMASS 550.4655399999999
SMILES c(c2)c(ccc(C(O4)=C(OC(O5)C(O)C(O)C(O)C5)C(=O)c(c43)c(O)cc(O)c3)2)OC(C1O)OCC(O)C1O
M END
