Mol:FL3FADCS0018
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 |
| − | -1.8764 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8764 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8764 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8764 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1407 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1407 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4050 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4050 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4050 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4050 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1407 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1407 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3306 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3306 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0663 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0663 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0663 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0663 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3306 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3306 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3306 -2.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3306 -2.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1407 -2.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1407 -2.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6118 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6118 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8076 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8076 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5069 0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5069 0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2061 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2061 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2061 1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2061 1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5069 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5069 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8076 1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8076 1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9125 1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9125 1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4842 -2.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4842 -2.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3091 -2.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3091 -2.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9805 -2.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9805 -2.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3860 -2.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3860 -2.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5611 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5611 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8899 -1.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8899 -1.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8001 -3.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8001 -3.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5810 -3.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5810 -3.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9125 -2.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9125 -2.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9685 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9685 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5069 2.4007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5069 2.4007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0673 3.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0673 3.5985 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 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 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 2 0 0 0 0 | + | 22 28 2 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 18 31 1 0 0 0 0 | + | 18 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 0.0000 -0.7450 | + | M SBV 1 35 0.0000 -0.7450 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADCS0018 | + | ID FL3FADCS0018 |
| − | FORMULA C22H20O10 | + | FORMULA C22H20O10 |
| − | EXACTMASS 444.10564686 | + | EXACTMASS 444.10564686 |
| − | AVERAGEMASS 444.3882 | + | AVERAGEMASS 444.3882 |
| − | SMILES O(c23)C(=CC(=O)c(c(c(C(O4)C(C(C(C(C)4)=O)O)O)c(O)c3)O)2)c(c1)cc(c(c1)O)OC | + | SMILES O(c23)C(=CC(=O)c(c(c(C(O4)C(C(C(C(C)4)=O)O)O)c(O)c3)O)2)c(c1)cc(c(c1)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
-1.8764 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8764 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4050 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4050 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 -2.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 -2.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6118 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8076 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5069 0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2061 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2061 1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5069 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8076 1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9125 1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4842 -2.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3091 -2.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 -2.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3860 -2.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5611 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8899 -1.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8001 -3.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5810 -3.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9125 -2.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9685 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5069 2.4007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0673 3.5985 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
3 12 1 0 0 0 0
1 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
9 14 1 0 0 0 0
17 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
23 27 1 0 0 0 0
22 28 2 0 0 0 0
21 29 1 0 0 0 0
24 30 1 0 0 0 0
2 25 1 0 0 0 0
31 32 1 0 0 0 0
18 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 OCH3
M SBV 1 35 0.0000 -0.7450
S SKP 5
ID FL3FADCS0018
FORMULA C22H20O10
EXACTMASS 444.10564686
AVERAGEMASS 444.3882
SMILES O(c23)C(=CC(=O)c(c(c(C(O4)C(C(C(C(C)4)=O)O)O)c(O)c3)O)2)c(c1)cc(c(c1)O)OC
M END
