Mol:FL3FAACS0076
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.5811 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5811 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8666 0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8666 0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1521 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1521 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1521 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1521 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8666 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8666 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5811 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5811 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4377 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4377 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2768 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2768 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2768 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2768 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4377 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4377 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9225 0.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9225 0.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4377 -1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4377 -1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8666 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8666 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3628 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3628 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0773 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0773 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7918 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7918 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7918 1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7918 1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0773 1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0773 1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3628 1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3628 1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4070 1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4070 1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9713 -1.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9713 -1.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3084 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3084 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6596 -1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6596 -1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8417 -1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8417 -1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5046 -0.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5046 -0.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1535 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1535 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0727 -0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0727 -0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9942 -1.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9942 -1.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0492 -1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0492 -1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4808 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4808 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3061 0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3061 0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7131 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7131 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4950 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4950 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6697 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6697 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2629 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2629 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9693 -1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9693 -1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4070 -0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4070 -0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3254 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3254 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9290 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9290 0.8082 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 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 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 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 9 1 0 0 0 0 | + | 24 9 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 30 39 1 0 0 0 0 | + | 30 39 1 0 0 0 0 |
| − | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0076 | + | ID FL3FAACS0076 |
| − | FORMULA C26H28O13 | + | FORMULA C26H28O13 |
| − | EXACTMASS 548.152990982 | + | EXACTMASS 548.152990982 |
| − | AVERAGEMASS 548.49272 | + | AVERAGEMASS 548.49272 |
| − | SMILES c(c5)(ccc(c5)C(O4)=CC(c(c34)c(O)c(c(O)c3)C(O2)C(O)C(C(C2)OC(C1O)OC(C(C1O)O)C)O)=O)O | + | SMILES c(c5)(ccc(c5)C(O4)=CC(c(c34)c(O)c(c(O)c3)C(O2)C(O)C(C(C2)OC(C1O)OC(C(C1O)O)C)O)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
2.5811 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8666 0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1521 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1521 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8666 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5811 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4377 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2768 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2768 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4377 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9225 0.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4377 -1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8666 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3628 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0773 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7918 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7918 1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0773 1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3628 1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4070 1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9713 -1.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3084 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6596 -1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8417 -1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5046 -0.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0727 -0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9942 -1.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0492 -1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4808 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3061 0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7131 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4950 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6697 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2629 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9693 -1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4070 -0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3254 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9290 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 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 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 9 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
31 38 1 0 0 0 0
30 39 1 0 0 0 0
27 34 1 0 0 0 0
S SKP 5
ID FL3FAACS0076
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES c(c5)(ccc(c5)C(O4)=CC(c(c34)c(O)c(c(O)c3)C(O2)C(O)C(C(C2)OC(C1O)OC(C(C1O)O)C)O)=O)O
M END
