Mol:FL3FAADS0038
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
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| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
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| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 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 |
| − | 35 34 1 1 0 0 0 | + | 35 34 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 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAADS0038 | + | ID FL3FAADS0038 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES C(c(c5O)c(O)cc(c52)OC(c(c4)ccc(c4)OC(O3)C(O)C(C(C(C)3)O)O)=CC2=O)(O1)C(C(O)C(O)C(CO)1)O | + | SMILES C(c(c5O)c(O)cc(c52)OC(c(c4)ccc(c4)OC(O3)C(O)C(C(C(C)3)O)O)=CC2=O)(O1)C(C(O)C(O)C(CO)1)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/
41 45 0 0 0 0 0 0 0 0999 V2000
0.9468 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2323 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4822 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4822 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2323 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9468 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5821 0.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 -1.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2323 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5968 -0.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1842 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3859 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5924 -0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0050 -0.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8033 -0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9663 -0.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4756 0.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1199 -0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7552 -0.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8960 -1.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7285 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4429 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1573 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1573 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4429 1.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7285 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7726 1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2613 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4413 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8719 0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6012 0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4213 1.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9906 0.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1199 0.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9862 -0.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9037 -0.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7787 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
14 15 1 1 0 0 0
15 16 1 1 0 0 0
17 16 1 1 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
16 24 1 0 0 0 0
9 17 1 0 0 0 0
1 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 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
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
36 31 1 0 0 0 0
S SKP 5
ID FL3FAADS0038
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES C(c(c5O)c(O)cc(c52)OC(c(c4)ccc(c4)OC(O3)C(O)C(C(C(C)3)O)O)=CC2=O)(O1)C(C(O)C(O)C(CO)1)O
M END
