Mol:FL2FAEGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9689 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9689 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9689 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9689 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2544 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2544 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2544 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2544 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1745 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1745 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8890 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8890 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8890 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8890 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1745 0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1745 0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6032 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6032 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3314 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3314 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0595 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0595 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0595 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0595 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3314 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3314 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6032 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6032 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1745 -1.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1745 -1.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6831 0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6831 0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3314 2.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3314 2.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2544 -1.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2544 -1.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7772 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7772 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3043 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3043 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6235 -2.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6235 -2.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9665 -2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9665 -2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 -1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 -1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0395 -2.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0395 -2.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4713 -2.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4713 -2.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9969 -2.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9969 -2.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0464 -2.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0464 -2.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5530 -1.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5530 -1.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7050 -2.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7050 -2.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7875 1.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7875 1.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7050 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7050 1.3112 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 34 0.5135 -0.5706 | + | M SBV 1 34 0.5135 -0.5706 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 -0.7281 -0.4202 | + | M SBV 2 36 -0.7281 -0.4202 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAEGS0003 | + | ID FL2FAEGS0003 |
| − | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
| − | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
| − | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
| − | SMILES OC(C4O)C(OC(CO)C4O)Oc(c3)c(c(cc3O)1)C(=O)CC(c(c2)ccc(c2O)OC)O1 | + | SMILES OC(C4O)C(OC(CO)C4O)Oc(c3)c(c(cc3O)1)C(=O)CC(c(c2)ccc(c2O)OC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.9689 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9689 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2544 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2544 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1745 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8890 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8890 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1745 0.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6032 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3314 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0595 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0595 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3314 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6032 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1745 -1.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6831 0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3314 2.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2544 -1.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7772 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3043 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6235 -2.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9665 -2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 -1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0395 -2.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4713 -2.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9969 -2.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0464 -2.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5530 -1.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7050 -2.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7875 1.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7050 1.3112 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
30 31 1 0 0 0 0
26 30 1 0 0 0 0
32 33 1 0 0 0 0
14 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ CH2OH
M SBV 1 34 0.5135 -0.5706
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.7281 -0.4202
S SKP 5
ID FL2FAEGS0003
FORMULA C22H24O11
EXACTMASS 464.13186161
AVERAGEMASS 464.41936000000004
SMILES OC(C4O)C(OC(CO)C4O)Oc(c3)c(c(cc3O)1)C(=O)CC(c(c2)ccc(c2O)OC)O1
M END
