Mol:FL5FAIGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.3040 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3040 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3040 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3040 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6029 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6029 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9019 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9019 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9018 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9018 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6029 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6029 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2007 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2007 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4998 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4998 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4997 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4997 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2007 0.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2007 0.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2007 -2.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2007 -2.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2011 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2011 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9156 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9156 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6302 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6302 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6302 0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6302 0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9156 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9156 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2011 0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2011 0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0048 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0048 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3405 -1.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3405 -1.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7195 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7195 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9191 -2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9191 -2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8840 -2.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8840 -2.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6272 -3.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6272 -3.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4276 -2.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4276 -2.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4627 -2.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4627 -2.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9993 -1.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9993 -1.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3561 -2.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3561 -2.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0048 -3.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0048 -3.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3747 1.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3747 1.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6029 -2.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6029 -2.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4297 -0.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4297 -0.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6899 -0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6899 -0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9156 2.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9156 2.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4718 3.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4718 3.1982 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 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 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 16 33 1 0 0 0 0 | + | 16 33 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -0.7994 0.4616 | + | M SBV 1 35 -0.7994 0.4616 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 37 0.0000 -0.7878 | + | M SBV 2 37 0.0000 -0.7878 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAIGS0001 | + | ID FL5FAIGS0001 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(C(=O)1)(c4O)c(cc(c4)O)OC(c(c3)cc(c(c3OC)O)OC)=C1OC(C(O)2)OCC(C(O)2)O | + | SMILES c(C(=O)1)(c4O)c(cc(c4)O)OC(c(c3)cc(c(c3OC)O)OC)=C1OC(C(O)2)OCC(C(O)2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-3.3040 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3040 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6029 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9019 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9018 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6029 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2007 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4998 -1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4997 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2007 0.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2007 -2.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2011 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9156 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6302 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6302 0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9156 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2011 0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0048 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3405 -1.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7195 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9191 -2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8840 -2.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6272 -3.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4276 -2.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4627 -2.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9993 -1.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3561 -2.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0048 -3.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3747 1.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6029 -2.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4297 -0.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6899 -0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9156 2.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4718 3.1982 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
7 11 2 0 0 0 0
9 12 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
22 23 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
31 32 1 0 0 0 0
14 31 1 0 0 0 0
33 34 1 0 0 0 0
16 33 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 OCH3
M SBV 1 35 -0.7994 0.4616
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 0.0000 -0.7878
S SKP 5
ID FL5FAIGS0001
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(C(=O)1)(c4O)c(cc(c4)O)OC(c(c3)cc(c(c3OC)O)OC)=C1OC(C(O)2)OCC(C(O)2)O
M END
