Mol:FL3FEGGS0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.2237 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2237 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2237 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2237 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9381 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9381 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6526 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6526 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6526 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6526 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9381 2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9381 2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5092 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5092 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2053 1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2053 1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9198 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9198 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9198 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9198 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2053 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2053 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5092 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5092 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6342 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6342 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3487 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3487 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3487 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3487 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6342 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6342 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2053 -1.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2053 -1.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0632 1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0632 1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6342 -1.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6342 -1.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3671 2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3671 2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9381 3.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9381 3.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3671 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3671 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0145 -0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0145 -0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6526 3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6526 3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7476 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7476 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0815 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0815 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6652 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6652 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1367 -2.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1367 -2.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5492 -2.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5492 -2.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7560 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7560 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9579 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9579 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5453 -2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5453 -2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3387 -2.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3387 -2.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9626 -3.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -3.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1894 -3.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1894 -3.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0815 -2.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0815 -2.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9329 -2.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9329 -2.2291 0.0000 C 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 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 18 27 1 0 0 0 0 | + | 18 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
| − | 30 35 1 0 0 0 0 | + | 30 35 1 0 0 0 0 |
| − | 29 36 1 0 0 0 0 | + | 29 36 1 0 0 0 0 |
| − | 28 37 1 0 0 0 0 | + | 28 37 1 0 0 0 0 |
| − | 19 32 1 0 0 0 0 | + | 19 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEGGS0006 | + | ID FL3FEGGS0006 |
| − | FORMULA C25H28O12 | + | FORMULA C25H28O12 |
| − | EXACTMASS 520.15807636 | + | EXACTMASS 520.15807636 |
| − | AVERAGEMASS 520.48262 | + | AVERAGEMASS 520.48262 |
| − | SMILES c(OC)(c1)c(c(OC)cc1C(O4)=CC(=O)c(c24)c(OC(C3O)OC(C)C(C3O)O)c(c(c2)OC)OC)O | + | SMILES c(OC)(c1)c(c(OC)cc1C(O4)=CC(=O)c(c24)c(OC(C3O)OC(C)C(C3O)O)c(c(c2)OC)OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
1.2237 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2237 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9381 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6526 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6526 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9381 2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5092 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2053 1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9198 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9198 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2053 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5092 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6342 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3487 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3487 -0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6342 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2053 -1.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0632 1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6342 -1.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3671 2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9381 3.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3671 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0145 -0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6526 3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7476 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0815 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6652 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1367 -2.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5492 -2.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7560 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9579 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5453 -2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3387 -2.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9626 -3.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1894 -3.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0815 -2.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9329 -2.2291 0.0000 C 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
15 23 1 0 0 0 0
21 24 1 0 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
18 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
31 34 1 0 0 0 0
30 35 1 0 0 0 0
29 36 1 0 0 0 0
28 37 1 0 0 0 0
19 32 1 0 0 0 0
S SKP 5
ID FL3FEGGS0006
FORMULA C25H28O12
EXACTMASS 520.15807636
AVERAGEMASS 520.48262
SMILES c(OC)(c1)c(c(OC)cc1C(O4)=CC(=O)c(c24)c(OC(C3O)OC(C)C(C3O)O)c(c(c2)OC)OC)O
M END
