Mol:FL5FFAGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3358 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3358 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3358 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3358 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6213 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6213 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0931 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0931 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0931 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0931 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6213 -0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6213 -0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8076 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8076 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5220 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5220 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5220 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5220 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8076 -0.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8076 -0.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8076 -2.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8076 -2.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2362 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2362 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9644 -0.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9644 -0.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6926 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6926 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6926 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6926 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9644 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9644 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2362 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2362 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0500 -0.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0500 -0.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2863 -1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2863 -1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6213 -2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6213 -2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3729 1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3729 1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6213 0.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6213 0.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6720 0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6720 0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8651 -0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8651 -0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1212 0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1212 0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8651 1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8651 1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6720 1.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6720 1.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4161 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4161 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3828 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3828 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8843 2.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8843 2.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0992 1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0992 1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3729 0.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3729 0.1584 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 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 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 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0003 | + | ID FL5FFAGS0003 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c4)c(ccc(O)4)C(O3)=C(C(c(c32)c(O)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1)=O)O | + | SMILES c(c4)c(ccc(O)4)C(O3)=C(C(c(c32)c(O)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.3358 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3358 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6213 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0931 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0931 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6213 -0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5220 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5220 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 -0.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 -2.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2362 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9644 -0.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6926 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6926 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9644 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2362 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0500 -0.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2863 -1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6213 -2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3729 1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6213 0.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6720 0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8651 -0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1212 0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8651 1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6720 1.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4161 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3828 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8843 2.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0992 1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3729 0.1584 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
6 22 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
28 31 1 0 0 0 0
23 32 1 0 0 0 0
24 18 1 0 0 0 0
S SKP 5
ID FL5FFAGS0003
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c4)c(ccc(O)4)C(O3)=C(C(c(c32)c(O)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1)=O)O
M END
