Mol:FL5FAGGS0007
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 |
| − | -4.1338 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1338 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1338 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1338 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4193 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4193 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7049 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7049 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7049 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7049 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4193 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4193 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9904 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9904 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2760 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2760 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2760 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2760 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9904 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9904 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9904 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9904 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5617 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5617 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1665 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1665 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8945 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8945 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8945 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8945 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1665 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1665 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5617 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5617 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8480 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8480 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4193 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4193 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5617 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5617 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6448 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6448 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6225 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6225 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1665 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1665 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6955 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6955 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3092 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3092 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0522 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0522 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7997 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7997 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1861 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1861 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4430 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4430 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0825 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0825 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8328 0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8328 0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8480 -0.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8480 -0.0397 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 25 22 1 0 0 0 0 | + | 25 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0007 | + | ID FL5FAGGS0007 |
| − | FORMULA C20H18O12 | + | FORMULA C20H18O12 |
| − | EXACTMASS 450.07982604 | + | EXACTMASS 450.07982604 |
| − | AVERAGEMASS 450.34972 | + | AVERAGEMASS 450.34972 |
| − | SMILES C(O1)(Oc(c2)c(O)c(O)cc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)2)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c2)c(O)c(O)cc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)2)C(O)C(C(O)C1)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
-4.1338 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1338 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4193 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7049 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7049 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4193 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9904 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9904 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9904 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5617 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1665 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8945 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8945 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1665 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5617 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8480 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4193 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5617 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6448 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6225 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1665 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6955 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3092 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0522 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7997 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1861 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4430 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0825 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8328 0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8480 -0.0397 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
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
16 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
24 30 1 0 0 0 0
29 31 1 0 0 0 0
28 32 1 0 0 0 0
25 22 1 0 0 0 0
S SKP 5
ID FL5FAGGS0007
FORMULA C20H18O12
EXACTMASS 450.07982604
AVERAGEMASS 450.34972
SMILES C(O1)(Oc(c2)c(O)c(O)cc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)2)C(O)C(C(O)C1)O
M END
