Mol:FLIACBCS0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.2274 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2274 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2274 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2274 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5129 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5129 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7983 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7983 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7983 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7983 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5129 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5129 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0838 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0838 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6307 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6307 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6307 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6307 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0838 1.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0838 1.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5129 -1.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5129 -1.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0838 -1.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0838 -1.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3508 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3508 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0299 -1.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0299 -1.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7091 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7091 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7091 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7091 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0299 -0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0299 -0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3508 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3508 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3497 -0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3497 -0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5972 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5972 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2783 -0.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2783 -0.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6597 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6597 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4122 0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4122 0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7313 -0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7313 -0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5006 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5006 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0291 0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0291 0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4801 -0.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4801 -0.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8083 -1.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8083 -1.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3882 -1.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3882 -1.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5006 -2.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5006 -2.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9800 1.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9800 1.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6221 2.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6221 2.3014 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 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 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 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 19 1 1 0 0 0 | + | 24 19 1 1 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 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 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 -0.6791 0.3921 | + | M SBV 1 33 -0.6791 0.3921 |
| − | 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 0.7526 -0.4345 | + | M SBV 2 35 0.7526 -0.4345 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIACBCS0001 | + | ID FLIACBCS0001 |
| − | FORMULA C23H24O9 | + | FORMULA C23H24O9 |
| − | EXACTMASS 444.14203236599997 | + | EXACTMASS 444.14203236599997 |
| − | AVERAGEMASS 444.43126 | + | AVERAGEMASS 444.43126 |
| − | SMILES c(c1)c(ccc1C(=C4)C(c(c2O4)c(O)c(C(O3)C(C(C(C(C)3)O)O)O)c(c2)OC)=O)OC | + | SMILES c(c1)c(ccc1C(=C4)C(c(c2O4)c(O)c(C(O3)C(C(C(C(C)3)O)O)O)c(c2)OC)=O)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
-2.2274 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2274 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5129 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7983 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7983 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5129 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0838 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6307 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6307 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0838 1.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5129 -1.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0838 -1.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3508 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0299 -1.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7091 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7091 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0299 -0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3508 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3497 -0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5972 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2783 -0.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6597 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4122 0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7313 -0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5006 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0291 0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4801 -0.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8083 -1.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3882 -1.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5006 -2.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9800 1.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6221 2.3014 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
7 12 2 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
18 8 1 0 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 19 1 1 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
24 27 1 0 0 0 0
19 28 1 0 0 0 0
20 2 1 0 0 0 0
29 30 1 0 0 0 0
15 29 1 0 0 0 0
31 32 1 0 0 0 0
1 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 -0.6791 0.3921
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 0.7526 -0.4345
S SKP 5
ID FLIACBCS0001
FORMULA C23H24O9
EXACTMASS 444.14203236599997
AVERAGEMASS 444.43126
SMILES c(c1)c(ccc1C(=C4)C(c(c2O4)c(O)c(C(O3)C(C(C(C(C)3)O)O)O)c(c2)OC)=O)OC
M END
