Mol:FL3FAACS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4296 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4296 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4296 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4296 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7298 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7298 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0301 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0301 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0301 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0301 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7298 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7298 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6697 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6697 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3695 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3695 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3695 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3695 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6697 -0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6697 -0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6697 -2.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6697 -2.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7298 -2.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7298 -2.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2246 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2246 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9621 -0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9621 -0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6995 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6995 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6995 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6995 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9621 1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9621 1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2246 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2246 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4364 1.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4364 1.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0372 -0.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0372 -0.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7337 0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7337 0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9605 1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9605 1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.4482 2.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 2.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 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 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0010 | + | ID FL3FAACS0010 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES C(=C2)(Oc(c(C(C(O)4)OC(COC(C)=O)C(C(O)4)O)3)c(c(O)cc(O)3)C2=O)c(c1)ccc(c1)O | + | SMILES C(=C2)(Oc(c(C(C(O)4)OC(COC(C)=O)C(C(O)4)O)3)c(c(O)cc(O)3)C2=O)c(c1)ccc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.4296 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4296 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7298 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0301 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0301 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7298 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6697 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3695 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3695 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6697 -0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6697 -2.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7298 -2.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2246 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9621 -0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6995 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6995 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9621 1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2246 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4364 1.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0372 -0.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9605 1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 2.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2216 1.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8718 2.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0471 2.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6125 1.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7995 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5914 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4364 1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5914 2.7505 0.0000 C 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
1 20 1 0 0 0 0
22 21 1 1 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 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
23 30 1 0 0 0 0
22 6 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 5
ID FL3FAACS0010
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES C(=C2)(Oc(c(C(C(O)4)OC(COC(C)=O)C(C(O)4)O)3)c(c(O)cc(O)3)C2=O)c(c1)ccc(c1)O
M END
