Mol:FL63ACGS0020
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.0353 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0353 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0353 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0353 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3209 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3209 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6064 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6064 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6064 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6064 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3209 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3209 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8920 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8920 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1775 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1775 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1775 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1775 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8920 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8920 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4630 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4630 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2573 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2573 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9777 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9777 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9777 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9777 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2573 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2573 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4630 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4630 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6671 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6671 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7498 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7498 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4630 -1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4630 -1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3209 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3209 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7025 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7025 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3326 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3326 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0440 1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0440 1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7597 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7597 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1298 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1298 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4182 1.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4182 1.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2147 1.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2147 1.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9245 2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9245 2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7498 1.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7498 1.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2573 2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2573 2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5694 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5694 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5400 -0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5400 -0.1460 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 |
| − | 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 -0.8097 -0.0881 | + | M SBV 1 35 -0.8097 -0.0881 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63ACGS0020 | + | ID FL63ACGS0020 |
| − | FORMULA C21H24O11 | + | FORMULA C21H24O11 |
| − | EXACTMASS 452.13186161 | + | EXACTMASS 452.13186161 |
| − | AVERAGEMASS 452.40866 | + | AVERAGEMASS 452.40866 |
| − | SMILES c(c(O)4)c(c(c(c4)1)CC(C(c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)O1)O)O | + | SMILES c(c(O)4)c(c(c(c4)1)CC(C(c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)O1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-4.0353 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0353 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3209 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6064 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6064 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3209 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8920 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1775 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1775 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8920 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4630 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9777 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9777 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4630 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6671 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7498 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4630 -1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3209 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7025 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3326 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0440 1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7597 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1298 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4182 1.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2147 1.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9245 2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7498 1.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5694 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5400 -0.1460 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 1 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 17 1 0 0 0 0
15 30 1 0 0 0 0
31 32 1 0 0 0 0
24 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 -0.8097 -0.0881
S SKP 5
ID FL63ACGS0020
FORMULA C21H24O11
EXACTMASS 452.13186161
AVERAGEMASS 452.40866
SMILES c(c(O)4)c(c(c(c4)1)CC(C(c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)O1)O)O
M END
