Mol:FL5FACGS0090
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.5998 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5998 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5998 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5998 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3143 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3143 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0288 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0288 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0288 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0288 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3143 2.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3143 2.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8854 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8854 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1709 1.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1709 1.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5436 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5436 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5436 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5436 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1709 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1709 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8854 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8854 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2580 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2580 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9725 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9725 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9725 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9725 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2580 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2580 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1709 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1709 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6870 1.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6870 1.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6631 -0.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6631 -0.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2580 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2580 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6207 2.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6207 2.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6574 1.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6574 1.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3113 -1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3113 -1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1013 -1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1013 -1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6922 -1.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6922 -1.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4905 -1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4905 -1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9032 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9032 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1096 -1.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1096 -1.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5078 -2.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5078 -2.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2380 -2.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2380 -2.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7654 -1.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7654 -1.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3008 -1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3008 -1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5131 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5131 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2304 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2304 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9400 -2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9400 -2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6574 -1.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6574 -1.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5054 -2.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5054 -2.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9323 -2.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9323 -2.9244 0.0000 O 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 33 37 2 0 0 0 0 | + | 33 37 2 0 0 0 0 |
| − | 35 38 2 0 0 0 0 | + | 35 38 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0090 | + | ID FL5FACGS0090 |
| − | FORMULA C24H22O14 | + | FORMULA C24H22O14 |
| − | EXACTMASS 534.100955412 | + | EXACTMASS 534.100955412 |
| − | AVERAGEMASS 534.42308 | + | AVERAGEMASS 534.42308 |
| − | SMILES c(c12)c(cc(O)c(C(=O)C(OC(C4O)OC(C)C(C4O)OC(=O)CC(O)=O)=C(c(c3)cc(c(c3)O)O)O2)1)O | + | SMILES c(c12)c(cc(O)c(C(=O)C(OC(C4O)OC(C)C(C4O)OC(=O)CC(O)=O)=C(c(c3)cc(c(c3)O)O)O2)1)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/
38 41 0 0 0 0 0 0 0 0999 V2000
1.5998 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5998 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3143 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0288 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0288 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3143 2.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8854 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1709 1.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1709 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8854 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2580 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2580 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1709 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6870 1.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6631 -0.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2580 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6207 2.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6574 1.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3113 -1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6922 -1.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4905 -1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9032 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1096 -1.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5078 -2.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2380 -2.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7654 -1.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3008 -1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5131 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2304 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 -2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6574 -1.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5054 -2.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9323 -2.9244 0.0000 O 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
27 19 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
33 37 2 0 0 0 0
35 38 2 0 0 0 0
31 33 1 0 0 0 0
S SKP 5
ID FL5FACGS0090
FORMULA C24H22O14
EXACTMASS 534.100955412
AVERAGEMASS 534.42308
SMILES c(c12)c(cc(O)c(C(=O)C(OC(C4O)OC(C)C(C4O)OC(=O)CC(O)=O)=C(c(c3)cc(c(c3)O)O)O2)1)O
M END
