Mol:FL63ACGS0001
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 |
| − | -0.6289 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6289 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6289 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6289 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0678 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0678 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7646 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7646 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7646 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7646 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0678 0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0678 0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4612 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4612 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1580 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1580 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1580 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1580 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4612 0.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4612 0.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8543 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8543 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5703 0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5703 0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2864 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2864 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2864 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2864 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5703 1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5703 1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8543 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8543 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1580 1.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1580 1.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0678 -1.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0678 -1.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3252 0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3252 0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0373 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0373 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5052 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5052 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8577 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8577 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0621 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0621 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7940 0.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7940 0.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5897 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5897 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1611 -0.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1611 -0.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0009 -0.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0009 -0.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5492 -0.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5492 -0.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0009 1.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0009 1.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0009 0.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0009 0.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8907 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8907 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6137 -1.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6137 -1.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 20 23 1 1 0 0 0 | + | 20 23 1 1 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 8 31 1 1 0 0 0 | + | 8 31 1 1 0 0 0 |
| − | 8 32 1 6 0 0 0 | + | 8 32 1 6 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63ACGS0001 | + | ID FL63ACGS0001 |
| − | FORMULA C20H20H2O10 | + | FORMULA C20H20H2O10 |
| − | EXACTMASS 422.121296924 | + | EXACTMASS 422.121296924 |
| − | AVERAGEMASS 422.38268000000005 | + | AVERAGEMASS 422.38268000000005 |
| − | SMILES C(C3([H])O)c(c(OC([H])3c(c4)cc(c(O)c4)O)1)c(cc(OC(O2)C(O)C(C(O)C2)O)c1)O | + | SMILES C(C3([H])O)c(c(OC([H])3c(c4)cc(c(O)c4)O)1)c(cc(OC(O2)C(O)C(C(O)C2)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
-0.6289 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6289 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0678 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7646 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7646 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0678 0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4612 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1580 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1580 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4612 0.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8543 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5703 0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2864 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2864 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5703 1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8543 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1580 1.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0678 -1.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3252 0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0373 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5052 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8577 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0621 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7940 0.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5897 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1611 -0.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0009 -0.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5492 -0.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0009 1.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0009 0.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8907 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6137 -1.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 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
9 17 1 1 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
20 23 1 1 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 21 1 0 0 0 0
23 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
14 29 1 0 0 0 0
13 30 1 0 0 0 0
8 31 1 1 0 0 0
8 32 1 6 0 0 0
S SKP 5
ID FL63ACGS0001
FORMULA C20H20H2O10
EXACTMASS 422.121296924
AVERAGEMASS 422.38268000000005
SMILES C(C3([H])O)c(c(OC([H])3c(c4)cc(c(O)c4)O)1)c(cc(OC(O2)C(O)C(C(O)C2)O)c1)O
M END
