Mol:FL5FFAGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1681 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1681 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1681 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1681 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4536 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4536 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7392 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7392 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7392 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7392 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4536 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4536 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0247 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0247 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6897 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6897 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6897 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6897 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0247 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0247 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0247 -2.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0247 -2.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4039 -0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4039 -0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1321 -0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1321 -0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8602 -0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8602 -0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8602 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8602 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1321 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1321 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4039 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4039 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8823 -0.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8823 -0.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4127 -2.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4127 -2.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4536 -2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4536 -2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4822 0.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4822 0.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8855 2.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8855 2.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2509 1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2509 1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5662 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5662 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1641 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1641 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9541 1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9541 1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6392 1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6392 1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4159 2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4159 2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4822 2.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4822 2.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5995 0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5995 0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4536 0.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4536 0.3163 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
| − | 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 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 25 1 0 0 0 0 | + | 31 25 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0004 | + | ID FL5FFAGS0004 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES c(c4)c(ccc(O)4)C(O1)=C(C(c(c2O)c1c(OC(O3)C(O)C(C(O)C3)O)c(O)c2)=O)O | + | SMILES c(c4)c(ccc(O)4)C(O1)=C(C(c(c2O)c1c(OC(O3)C(O)C(C(O)C3)O)c(O)c2)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.1681 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1681 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7392 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7392 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6897 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6897 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -2.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4039 -0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1321 -0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8602 -0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8602 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1321 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4039 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -0.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4127 -2.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 -2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4822 0.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8855 2.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2509 1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5662 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1641 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9541 1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6392 1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4159 2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4822 2.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5995 0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 0.3163 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
6 31 1 0 0 0 0
31 25 1 0 0 0 0
S SKP 5
ID FL5FFAGS0004
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES c(c4)c(ccc(O)4)C(O1)=C(C(c(c2O)c1c(OC(O3)C(O)C(C(O)C3)O)c(O)c2)=O)O
M END
