Mol:FL3FG8GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7420 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7420 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7420 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7420 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4565 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4565 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1709 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1709 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1709 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1709 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4565 2.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4565 2.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3130 1.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3130 1.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4014 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4014 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4014 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4014 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3130 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3130 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1159 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1159 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8304 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8304 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8304 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8304 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1159 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1159 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3130 -0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3130 -0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5448 1.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5448 1.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1159 -0.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1159 -0.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1159 2.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1159 2.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2942 0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2942 0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1142 2.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1142 2.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7417 2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7417 2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4523 -0.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4523 -0.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1399 0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1399 0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1709 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1709 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8081 -1.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8081 -1.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6330 -1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6330 -1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8400 -1.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8400 -1.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4251 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4251 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6001 -0.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6001 -0.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3931 -1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3931 -1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8067 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8067 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3362 -2.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3362 -2.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6269 -2.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6269 -2.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3366 -2.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3366 -2.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1099 -1.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1099 -1.7078 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FG8GS0001 | + | ID FL3FG8GS0001 |
| − | FORMULA C24H26O13 | + | FORMULA C24H26O13 |
| − | EXACTMASS 522.137340918 | + | EXACTMASS 522.137340918 |
| − | AVERAGEMASS 522.45544 | + | AVERAGEMASS 522.45544 |
| − | SMILES COc(c4O)c(c(c(c41)OC(c(c2OC(C3O)OC(C(O)C3O)CO)c(O)ccc2)=CC1=O)OC)OC | + | SMILES COc(c4O)c(c(c(c41)OC(c(c2OC(C3O)OC(C(O)C3O)CO)c(O)ccc2)=CC1=O)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
1.7420 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7420 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4565 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1709 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1709 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4565 2.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3130 1.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4014 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4014 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3130 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1159 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8304 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8304 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1159 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3130 -0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5448 1.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1159 -0.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1159 2.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1142 2.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7417 2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4523 -0.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1399 0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1709 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8081 -1.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6330 -1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 -1.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4251 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6001 -0.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3931 -1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8067 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3362 -2.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6269 -2.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3366 -2.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 -1.7078 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
16 19 1 0 0 0 0
13 20 1 0 0 0 0
3 21 1 0 0 0 0
1 22 1 0 0 0 0
20 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
18 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
21 30 1 0 0 0 0
S SKP 5
ID FL3FG8GS0001
FORMULA C24H26O13
EXACTMASS 522.137340918
AVERAGEMASS 522.45544
SMILES COc(c4O)c(c(c(c41)OC(c(c2OC(C3O)OC(C(O)C3O)CO)c(O)ccc2)=CC1=O)OC)OC
M END
