Mol:FL3FAACS0045
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 |
| − | -1.6427 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6427 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.2152 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2152 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.5007 -2.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5007 -2.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3569 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3569 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.0089 -0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0089 -0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.5146 0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5146 0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.2671 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2671 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.0535 2.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0535 2.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.5266 0.6329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5266 0.6329 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 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 |
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| − | 3 13 1 0 0 0 0 | + | 3 13 1 0 0 0 0 |
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| − | 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 |
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| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 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 |
| − | 6 24 1 0 0 0 0 | + | 6 24 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 FL3FAACS0045 | + | ID FL3FAACS0045 |
| − | 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 | ||
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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
-1.6427 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6427 -1.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9282 -1.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 -1.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9282 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 -1.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 -1.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 -0.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 -2.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3569 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9282 -2.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0089 -0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7617 -0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5146 -0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5146 0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7617 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0089 0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2671 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4027 1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0640 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4688 0.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8607 1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0535 2.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4027 2.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5266 0.6329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0006 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5240 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8375 -1.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1750 -1.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.2671 -2.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3548 -2.2782 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
3 13 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
14 9 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
6 24 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 FL3FAACS0045
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
