Mol:FL3FAACS0042
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 |
| − | -1.6559 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6559 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6559 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6559 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9415 -2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9415 -2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2271 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2271 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2271 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2271 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9415 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9415 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4874 -2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4874 -2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2019 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2019 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2019 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2019 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4874 -0.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4874 -0.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4874 -2.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4874 -2.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3702 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3702 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5025 2.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5025 2.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2804 2.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2804 2.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9504 1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9504 1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9416 0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9416 0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3465 1.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3465 1.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7384 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7384 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2804 2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2804 2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4572 0.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4572 0.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9415 -2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9415 -2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9954 -0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9954 -0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7483 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7483 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5012 -0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5012 -0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5012 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5012 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7483 0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7483 0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9954 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9954 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2535 0.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2535 0.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8525 1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8525 1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1211 0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1211 0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5102 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5102 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8264 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8264 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5069 1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5069 1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0098 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0098 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2535 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2535 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7732 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7732 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6968 2.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6968 2.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6137 1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6137 1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1846 2.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1846 2.6910 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 16 1 4 0 0 0 | + | 6 16 1 4 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 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 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 32 20 1 0 0 0 0 | + | 32 20 1 0 0 0 0 |
| − | 13 39 1 0 0 0 0 | + | 13 39 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0042 | + | ID FL3FAACS0042 |
| − | FORMULA C26H28O13 | + | FORMULA C26H28O13 |
| − | EXACTMASS 548.152990982 | + | EXACTMASS 548.152990982 |
| − | AVERAGEMASS 548.49272 | + | AVERAGEMASS 548.49272 |
| − | SMILES C(O2)(c(c53)c(cc(O)c3C(=O)C=C(O5)c(c4)ccc(O)c4)O)C(C(C(C2)O)O)OC(O1)C(O)C(O)C(C1C)O | + | SMILES C(O2)(c(c53)c(cc(O)c3C(=O)C=C(O5)c(c4)ccc(O)c4)O)C(C(C(C2)O)O)OC(O1)C(O)C(O)C(C1C)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
-1.6559 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6559 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9415 -2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2271 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2271 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9415 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4874 -2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2019 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2019 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4874 -0.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4874 -2.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3702 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5025 2.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2804 2.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9504 1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3465 1.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7384 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2804 2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4572 0.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9415 -2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9954 -0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7483 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5012 -0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5012 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7483 0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9954 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 0.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8525 1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1211 0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5102 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8264 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5069 1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0098 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2535 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7732 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6968 2.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6137 1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1846 2.6910 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
6 16 1 4 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
22 9 1 0 0 0 0
25 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
33 37 1 0 0 0 0
34 38 1 0 0 0 0
32 20 1 0 0 0 0
13 39 1 0 0 0 0
S SKP 5
ID FL3FAACS0042
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES C(O2)(c(c53)c(cc(O)c3C(=O)C=C(O5)c(c4)ccc(O)c4)O)C(C(C(C2)O)O)OC(O1)C(O)C(O)C(C1C)O
M END
