Mol:FL3FACCS0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.7447 -1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7447 -1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4592 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4592 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4592 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4592 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7447 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7447 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0303 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0303 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0303 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0303 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1446 -1.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1446 -1.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8301 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8301 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8301 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8301 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1446 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1446 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5051 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5051 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2212 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2212 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9374 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9374 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9374 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9374 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2212 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2212 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5051 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5051 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2212 2.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2212 2.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5281 1.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5281 1.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1446 -2.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1446 -2.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7447 -1.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7447 -1.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4992 0.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4992 0.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5783 -1.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5783 -1.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1697 -0.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1697 -0.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0056 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0056 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9219 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9219 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3305 -1.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3305 -1.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4946 -1.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4946 -1.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7914 -1.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7914 -1.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6664 -0.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6664 -0.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9338 -1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9338 -1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3757 -1.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3757 -1.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4907 -0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4907 -0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4907 0.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4907 0.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3717 0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3717 0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0164 1.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0164 1.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0164 0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0164 0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1355 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1355 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5952 1.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5952 1.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5281 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5281 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9535 -0.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9535 -0.4780 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 |
| − | 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 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 3 1 0 0 0 0 | + | 10 3 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 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 22 27 1 1 0 0 0 | + | 22 27 1 1 0 0 0 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 32 37 1 1 0 0 0 | + | 32 37 1 1 0 0 0 |
| − | 32 29 1 0 0 0 0 | + | 32 29 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0015 | + | ID FL3FACCS0015 |
| − | FORMULA C25H26O15 | + | FORMULA C25H26O15 |
| − | EXACTMASS 566.127170162 | + | EXACTMASS 566.127170162 |
| − | AVERAGEMASS 566.46494 | + | AVERAGEMASS 566.46494 |
| − | SMILES c(c1)(O)c(cc(C(O2)=CC(=O)c(c(O)3)c(cc(O)c3C(C5O)OC(C(C5O)O)OC(O4)C(O)C(O)C(O)C4)2)c1)O | + | SMILES c(c1)(O)c(cc(C(O2)=CC(=O)c(c(O)3)c(cc(O)c3C(C5O)OC(C(C5O)O)OC(O4)C(O)C(O)C(O)C4)2)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/
40 44 0 0 0 0 0 0 0 0999 V2000
0.7447 -1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4592 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4592 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7447 0.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0303 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0303 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1446 -1.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8301 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8301 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1446 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5051 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2212 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9374 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9374 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2212 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5051 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2212 2.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5281 1.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1446 -2.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7447 -1.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4992 0.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5783 -1.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1697 -0.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0056 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9219 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3305 -1.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4946 -1.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7914 -1.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6664 -0.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9338 -1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3757 -1.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4907 -0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4907 0.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3717 0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0164 1.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0164 0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1355 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5952 1.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5281 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9535 -0.4780 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 3 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
15 17 1 0 0 0 0
14 18 1 0 0 0 0
7 19 2 0 0 0 0
1 20 1 0 0 0 0
5 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
22 27 1 1 0 0 0
22 6 1 0 0 0 0
27 28 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
32 37 1 1 0 0 0
32 29 1 0 0 0 0
35 38 1 0 0 0 0
36 39 1 0 0 0 0
37 40 1 0 0 0 0
29 24 1 0 0 0 0
S SKP 5
ID FL3FACCS0015
FORMULA C25H26O15
EXACTMASS 566.127170162
AVERAGEMASS 566.46494
SMILES c(c1)(O)c(cc(C(O2)=CC(=O)c(c(O)3)c(cc(O)c3C(C5O)OC(C(C5O)O)OC(O4)C(O)C(O)C(O)C4)2)c1)O
M END
