Mol:FL5FFAGS0023
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 |
| − | -1.6782 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6782 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6782 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6782 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9637 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9637 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2491 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2491 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2491 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2491 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9637 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9637 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4654 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4654 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1799 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1799 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1799 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1799 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4654 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4654 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4654 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4654 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8941 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8941 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6224 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6224 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3507 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3507 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3507 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3507 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6224 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6224 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8941 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8941 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9637 -2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9637 -2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3701 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3701 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3138 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3138 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9637 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9637 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3936 2.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3936 2.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7002 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7002 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1257 1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1257 1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7884 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7884 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6120 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6120 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1868 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1868 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7974 2.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7974 2.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1031 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1031 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2122 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2122 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9759 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9759 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3162 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3162 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3701 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3701 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9252 0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9252 0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2029 0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2029 0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3327 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3327 -0.2222 0.0000 C 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 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 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0023 | + | ID FL5FFAGS0023 |
| − | FORMULA C24H22O13 | + | FORMULA C24H22O13 |
| − | EXACTMASS 518.10604079 | + | EXACTMASS 518.10604079 |
| − | AVERAGEMASS 518.42368 | + | AVERAGEMASS 518.42368 |
| − | SMILES O(C(C)=O)C(C1O)C(OC(C)=O)C(Oc(c4O)c(c3c(c4)O)OC(=C(C3=O)O)c(c2)ccc(c2)O)OC1 | + | SMILES O(C(C)=O)C(C1O)C(OC(C)=O)C(Oc(c4O)c(c3c(c4)O)OC(=C(C3=O)O)c(c2)ccc(c2)O)OC1 |
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
-1.6782 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6782 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9637 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2491 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2491 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9637 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4654 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4654 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4654 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8941 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6224 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3507 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3507 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6224 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8941 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9637 -2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3701 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3138 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9637 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3936 2.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7002 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1257 1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7884 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6120 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1868 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7974 2.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1031 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2122 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9759 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3162 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3701 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9252 0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2029 0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3327 -0.2222 0.0000 C 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
6 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
22 26 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
31 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
S SKP 5
ID FL5FFAGS0023
FORMULA C24H22O13
EXACTMASS 518.10604079
AVERAGEMASS 518.42368
SMILES O(C(C)=O)C(C1O)C(OC(C)=O)C(Oc(c4O)c(c3c(c4)O)OC(=C(C3=O)O)c(c2)ccc(c2)O)OC1
M END
