Mol:FL5FAJGS0003
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 |
| − | -2.2315 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2315 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5169 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5169 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5169 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5169 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2315 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2315 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9460 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9460 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9460 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9460 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8024 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8024 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0879 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0879 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0879 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0879 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8024 1.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8024 1.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7124 1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7124 1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4241 0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4241 0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1357 1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1357 1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1357 2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1357 2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4241 2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4241 2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7124 2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7124 2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4241 3.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4241 3.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8317 2.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8317 2.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5790 2.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5790 2.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7807 0.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7807 0.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5440 -0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5440 -0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5790 1.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5790 1.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2315 -1.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2315 -1.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8024 -1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8024 -1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6573 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6573 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8806 -2.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8806 -2.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1405 -1.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1405 -1.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7225 -1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7225 -1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9460 -1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9460 -1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2058 -1.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2058 -1.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1269 -1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1269 -1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4855 -2.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4855 -2.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1275 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1275 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1275 -3.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1275 -3.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6870 -2.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6870 -2.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4413 -2.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4413 -2.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0096 -2.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0096 -2.5780 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 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 27 36 1 0 0 0 0 | + | 27 36 1 0 0 0 0 |
| − | 28 37 1 0 0 0 0 | + | 28 37 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAJGS0003 | + | ID FL5FAJGS0003 |
| − | FORMULA C24H24O13 | + | FORMULA C24H24O13 |
| − | EXACTMASS 520.121690854 | + | EXACTMASS 520.121690854 |
| − | AVERAGEMASS 520.43956 | + | AVERAGEMASS 520.43956 |
| − | SMILES Oc(c31)cc(cc1OC(c(c4)cc(O)c(c(O)4)OC)=C(C3=O)OC(O2)C(C(O)C(OC(C)=O)C(C)2)O)O | + | SMILES Oc(c31)cc(cc1OC(c(c4)cc(O)c(c(O)4)OC)=C(C3=O)OC(O2)C(C(O)C(OC(C)=O)C(C)2)O)O |
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
-2.2315 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2315 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9460 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9460 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8024 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0879 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0879 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8024 1.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7124 1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4241 0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1357 1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1357 2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4241 2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7124 2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4241 3.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 2.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5790 2.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7807 0.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5440 -0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5790 1.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2315 -1.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8024 -1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6573 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8806 -2.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1405 -1.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7225 -1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9460 -1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2058 -1.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1269 -1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4855 -2.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1275 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1275 -3.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6870 -2.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4413 -2.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 -2.5780 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 2 0 0 0 0
9 10 1 0 0 0 0
10 3 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
15 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 0 0 0 0
8 21 1 0 0 0 0
5 22 1 0 0 0 0
1 23 1 0 0 0 0
7 24 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
21 29 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
27 36 1 0 0 0 0
28 37 1 0 0 0 0
S SKP 5
ID FL5FAJGS0003
FORMULA C24H24O13
EXACTMASS 520.121690854
AVERAGEMASS 520.43956
SMILES Oc(c31)cc(cc1OC(c(c4)cc(O)c(c(O)4)OC)=C(C3=O)OC(O2)C(C(O)C(OC(C)=O)C(C)2)O)O
M END
