Mol:FL5FADGS0001
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 |
| − | -3.2700 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2700 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2700 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2700 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5556 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5556 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8411 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8411 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8411 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8411 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5556 0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5556 0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1265 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1265 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4121 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4121 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4121 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4121 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1265 0.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1265 0.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1265 -2.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1265 -2.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3020 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3020 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0302 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0302 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7584 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7584 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7584 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7584 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0302 1.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0302 1.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3020 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3020 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9842 0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9842 0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5556 -2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5556 -2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4585 1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4585 1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3095 -1.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3095 -1.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3916 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3916 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3572 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3572 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8287 -2.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8287 -2.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8770 -2.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8770 -2.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9478 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9478 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3572 -2.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3572 -2.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3916 -1.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3916 -1.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0302 2.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0302 2.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5971 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5971 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9478 -2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9478 -2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9842 -3.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9842 -3.1722 0.0000 O 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 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 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 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 0.0000 -0.7466 | + | M SBV 1 33 0.0000 -0.7466 |
| − | 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 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 35 0.0000 0.6829 | + | M SBV 2 35 0.0000 0.6829 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0001 | + | ID FL5FADGS0001 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)OC)C(C(O)1)OC(CO)C1O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)OC)C(C(O)1)OC(CO)C1O |
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
-3.2700 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2700 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5556 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8411 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8411 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5556 0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1265 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4121 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4121 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1265 0.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1265 -2.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0302 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7584 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7584 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0302 1.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9842 0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5556 -2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4585 1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3095 -1.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3916 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3572 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8287 -2.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8770 -2.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9478 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3572 -2.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3916 -1.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0302 2.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5971 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9478 -2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9842 -3.1722 0.0000 O 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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 22 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
24 21 1 0 0 0 0
29 30 1 0 0 0 0
16 29 1 0 0 0 0
31 32 1 0 0 0 0
26 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 0.0000 -0.7466
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 CH2OH
M SBV 2 35 0.0000 0.6829
S SKP 5
ID FL5FADGS0001
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)OC)C(C(O)1)OC(CO)C1O
M END
