Mol:FL3FAACS0011
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 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.4486 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4486 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7341 -0.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7341 -0.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7341 -2.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7341 -2.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1234 -0.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1234 -0.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.2234 0.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2234 0.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6153 1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6153 1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1661 2.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1661 2.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1574 2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1574 2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1759 0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1759 0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6948 -2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6948 -2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2423 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2423 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
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| − | 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 |
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| − | 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 |
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| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
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| − | 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 |
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| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 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 |
| − | 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 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0011 | + | ID FL3FAACS0011 |
| − | FORMULA C25H26O13 | + | FORMULA C25H26O13 |
| − | EXACTMASS 534.137340918 | + | EXACTMASS 534.137340918 |
| − | AVERAGEMASS 534.46614 | + | AVERAGEMASS 534.46614 |
| − | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O | + | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 42 0 0 0 0 0 0 0 0999 V2000
-1.4092 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4092 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6948 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6948 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7341 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4486 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4486 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7341 -0.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7341 -2.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1234 -0.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3796 2.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1574 1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8275 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8186 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2234 0.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6153 1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1661 2.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1574 2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6948 -2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2423 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9952 -0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7480 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7480 0.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9952 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2423 0.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5005 1.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8405 -1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3639 -2.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6774 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0150 -1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.1070 -2.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1111 -2.1149 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
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
26 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
S SKP 5
ID FL3FAACS0011
FORMULA C25H26O13
EXACTMASS 534.137340918
AVERAGEMASS 534.46614
SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O
M END
