Mol:FLIACBCS0002
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 |
| − | -2.5567 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5567 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5567 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5567 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8422 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8422 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1277 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1277 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1277 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1277 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8422 0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8422 0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4132 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4132 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3013 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3013 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3013 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3013 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4132 0.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4132 0.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8422 -1.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8422 -1.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0478 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0478 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7270 -2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7270 -2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4061 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4061 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4061 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4061 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7270 -0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7270 -0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0478 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0478 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4132 -1.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4132 -1.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6744 2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6744 2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3461 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3461 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5385 1.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5385 1.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8307 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8307 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2061 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2061 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9365 1.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9365 1.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3497 2.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3497 2.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1246 1.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1246 1.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2344 2.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2344 2.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2607 2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2607 2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2708 0.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2708 0.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9384 1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9384 1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2374 -2.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2374 -2.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3497 -2.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3497 -2.7769 0.0000 C 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 |
| − | 3 11 1 0 0 0 0 | + | 3 11 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 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 17 8 1 0 0 0 0 | + | 17 8 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 33 0.7141 -0.4123 | + | M SBV 1 33 0.7141 -0.4123 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 35 -0.8313 0.4800 | + | M SBV 2 35 -0.8313 0.4800 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIACBCS0002 | + | ID FLIACBCS0002 |
| − | FORMULA C23H24O9 | + | FORMULA C23H24O9 |
| − | EXACTMASS 444.14203236599997 | + | EXACTMASS 444.14203236599997 |
| − | AVERAGEMASS 444.43126 | + | AVERAGEMASS 444.43126 |
| − | SMILES c(c1)c(ccc1C(C4=O)=COc(c42)c(C(C3O)OC(C)C(C3O)O)c(cc(O)2)OC)OC | + | SMILES c(c1)c(ccc1C(C4=O)=COc(c42)c(C(C3O)OC(C)C(C3O)O)c(cc(O)2)OC)OC |
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
-2.5567 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5567 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8422 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1277 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1277 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8422 0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4132 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3013 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3013 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4132 0.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8422 -1.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0478 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7270 -2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4061 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4061 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7270 -0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0478 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4132 -1.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6744 2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3461 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5385 1.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8307 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2061 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9365 1.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3497 2.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1246 1.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2344 2.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2607 2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2708 0.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9384 1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2374 -2.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3497 -2.7769 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
3 11 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
7 18 2 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 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 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
6 22 1 0 0 0 0
17 8 1 0 0 0 0
29 30 1 0 0 0 0
1 29 1 0 0 0 0
31 32 1 0 0 0 0
14 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 ^ OCH3
M SBV 1 33 0.7141 -0.4123
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 OCH3
M SBV 2 35 -0.8313 0.4800
S SKP 5
ID FLIACBCS0002
FORMULA C23H24O9
EXACTMASS 444.14203236599997
AVERAGEMASS 444.43126
SMILES c(c1)c(ccc1C(C4=O)=COc(c42)c(C(C3O)OC(C)C(C3O)O)c(cc(O)2)OC)OC
M END
