Mol:FL3FAIGS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.2181 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2181 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2181 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2181 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9326 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9326 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6471 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6471 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6471 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6471 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9326 1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9326 1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4963 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4963 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2108 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2108 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9253 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9253 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9253 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9253 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2108 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2108 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4963 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4963 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6397 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6397 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3542 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3542 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3542 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3542 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6397 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6397 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2108 -2.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2108 -2.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0687 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0687 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6397 -2.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6397 -2.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1789 1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1789 1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9326 1.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9326 1.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2601 -0.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2601 -0.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6157 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6157 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2601 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2601 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4074 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4074 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0687 -1.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0687 -1.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0066 0.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0066 0.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6540 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6540 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1099 0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1099 0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0235 -1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0235 -1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4607 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4607 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8028 -0.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8028 -0.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3406 -1.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3406 -1.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 31 25 1 1 0 0 0 | + | 31 25 1 1 0 0 0 |
| − | 30 25 1 1 0 0 0 | + | 30 25 1 1 0 0 0 |
| − | 29 31 1 1 0 0 0 | + | 29 31 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 31 27 1 0 0 0 0 | + | 31 27 1 0 0 0 0 |
| − | 32 29 1 0 0 0 0 | + | 32 29 1 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAIGS0012 | + | ID FL3FAIGS0012 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES c(c(OC)4)(c(OC)cc(c4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)OC(O1)C(C(O)(CO)C1)O | + | SMILES c(c(OC)4)(c(OC)cc(c4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)OC(O1)C(C(O)(CO)C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.2181 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2181 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9326 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6471 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6471 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9326 1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4963 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2108 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2108 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4963 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6397 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3542 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3542 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6397 -1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2108 -2.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0687 0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6397 -2.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1789 1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9326 1.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2601 -0.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6157 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2601 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0687 -1.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0066 0.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1099 0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0235 -1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4607 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8028 -0.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3406 -1.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
31 25 1 1 0 0 0
30 25 1 1 0 0 0
29 31 1 1 0 0 0
25 26 1 0 0 0 0
31 27 1 0 0 0 0
32 29 1 0 0 0 0
28 33 1 0 0 0 0
30 32 1 0 0 0 0
25 28 1 0 0 0 0
29 20 1 0 0 0 0
S SKP 5
ID FL3FAIGS0012
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c(OC)4)(c(OC)cc(c4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)OC(O1)C(C(O)(CO)C1)O
M END
