Mol:FL3FAACS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5211 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5211 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5211 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5211 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8066 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8066 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0922 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0922 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0922 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0922 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8066 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8066 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3777 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3777 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3367 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3367 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3367 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3367 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3777 -0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3777 -0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3777 -2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3777 -2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7791 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7791 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5074 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5074 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5074 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5074 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7791 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7791 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2353 1.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2353 1.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8066 -2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8066 -2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2353 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2353 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5209 2.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5209 2.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1501 2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1501 2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8832 1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8832 1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8760 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8760 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3946 1.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3946 1.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7116 1.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7116 1.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9590 2.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9590 2.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1501 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1501 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3012 0.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3012 0.9669 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 4 0 0 0 | + | 6 24 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0004 | + | ID FL3FAACS0004 |
| − | FORMULA C20H18O9 | + | FORMULA C20H18O9 |
| − | EXACTMASS 402.095082174 | + | EXACTMASS 402.095082174 |
| − | AVERAGEMASS 402.35152 | + | AVERAGEMASS 402.35152 |
| − | SMILES c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)ccc(O)c3)c(c(O)2)C(C(O)1)OCC(O)C1O | + | SMILES c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)ccc(O)c3)c(c(O)2)C(C(O)1)OCC(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.5211 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5211 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8066 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0922 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0922 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8066 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3777 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3777 -0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3777 -2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7791 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5074 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5074 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7791 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2353 1.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8066 -2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2353 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5209 2.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1501 2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8832 1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8760 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3946 1.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7116 1.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9590 2.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1501 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3012 0.9669 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 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 12 1 0 0 0 0
15 18 1 0 0 0 0
3 19 1 0 0 0 0
1 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 4 0 0 0
S SKP 5
ID FL3FAACS0004
FORMULA C20H18O9
EXACTMASS 402.095082174
AVERAGEMASS 402.35152
SMILES c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)ccc(O)c3)c(c(O)2)C(C(O)1)OCC(O)C1O
M END
