Mol:FL7AACGO0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1761 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1761 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1761 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1761 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4749 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4749 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7736 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7736 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7736 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7736 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4749 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4749 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0724 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0724 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3711 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3711 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3711 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3711 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0724 0.1830 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.0724 0.1830 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3299 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3299 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0447 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0447 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7594 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7594 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7594 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7594 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0447 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0447 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3299 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3299 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4739 1.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4739 1.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8771 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8771 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4749 -2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4749 -2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3556 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3556 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5427 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5427 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1219 -1.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1219 -1.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9311 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9311 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7451 -1.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7451 -1.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1658 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1658 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3568 -1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3568 -1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9689 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9689 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8356 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8356 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8771 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8771 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0447 2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0447 2.2458 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGS0002 | + | ID FL7AACGS0002 |
| − | FORMULA C20H19O10 | + | FORMULA C20H19O10 |
| − | EXACTMASS 419.097821828 | + | EXACTMASS 419.097821828 |
| − | AVERAGEMASS 419.35886000000005 | + | AVERAGEMASS 419.35886000000005 |
| − | SMILES C(O1)(Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-3.1761 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1761 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4749 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4749 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3711 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3711 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 0.1830 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.3299 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0447 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7594 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7594 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0447 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3299 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4739 1.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8771 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4749 -2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3556 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5427 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1219 -1.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9311 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7451 -1.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1658 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3568 -1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9689 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8356 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8771 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0447 2.2458 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 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
14 17 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
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
15 30 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGS0002
FORMULA C20H19O10
EXACTMASS 419.097821828
AVERAGEMASS 419.35886000000005
SMILES C(O1)(Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O
M END
