Mol:FL7AACGO0001
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 |
| − | -2.7793 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7793 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7793 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7793 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0780 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0780 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3768 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3768 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3768 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3768 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0780 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0780 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6755 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6755 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0257 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0257 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0257 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0257 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6755 0.1830 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.6755 0.1830 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7267 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7267 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4415 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4415 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1562 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1562 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1562 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1562 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4415 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4415 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7267 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7267 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8707 1.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8707 1.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4803 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4803 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0780 -2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0780 -2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7525 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7525 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8571 -1.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8571 -1.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4364 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4364 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2454 -1.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2454 -1.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0594 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0594 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4803 -1.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4803 -1.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6711 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6711 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3039 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3039 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0262 -0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0262 -0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4198 -0.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4198 -0.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4415 2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4415 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 FL7AACGS0001 | + | ID FL7AACGS0001 |
| − | 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
-2.7793 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7793 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3768 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3768 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6755 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0257 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0257 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6755 0.1830 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.7267 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4415 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1562 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1562 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4415 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8707 1.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4803 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 -2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7525 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 -1.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4364 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2454 -1.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0594 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4803 -1.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6711 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3039 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0262 -0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4198 -0.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4415 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 FL7AACGS0001
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
