Mol:FL2FAEGS0005
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 |
| − | -1.9688 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9688 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9688 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9688 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2542 -1.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2542 -1.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5397 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5397 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5397 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5397 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2542 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2542 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1748 -1.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1748 -1.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8893 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8893 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8893 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8893 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1748 0.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1748 0.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6036 0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6036 0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3318 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3318 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0601 0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0601 0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0601 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0601 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3318 1.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3318 1.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6036 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6036 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1748 -2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1748 -2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6830 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6830 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3318 2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3318 2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2542 -2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2542 -2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1373 0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1373 0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4626 -0.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4626 -0.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6767 0.6597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6767 0.6597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4626 1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4626 1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1373 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1373 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9233 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9233 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9736 2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9736 2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5437 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5437 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5287 1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5287 1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7057 0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7057 0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7881 1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7881 1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7057 0.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7057 0.8713 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 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 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 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 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 |
| − | 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 -0.7280 -0.4204 | + | M SBV 1 35 -0.7280 -0.4204 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAEGS0005 | + | ID FL2FAEGS0005 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES c(c3)(c(c(cc3OC(C4O)OC(C(O)C4O)C)O)1)OC(c(c2)ccc(c2O)OC)CC1=O | + | SMILES c(c3)(c(c(cc3OC(C4O)OC(C(O)C4O)C)O)1)OC(c(c2)ccc(c2O)OC)CC1=O |
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
-1.9688 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9688 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2542 -1.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5397 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5397 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2542 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1748 -1.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8893 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8893 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1748 0.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3318 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0601 0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0601 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3318 1.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1748 -2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3318 2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2542 -2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1373 0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4626 -0.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6767 0.6597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4626 1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1373 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9233 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9736 2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5437 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5287 1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7057 0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7881 1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7057 0.8713 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
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 18 1 0 0 0 0
31 32 1 0 0 0 0
14 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 -0.7280 -0.4204
S SKP 5
ID FL2FAEGS0005
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES c(c3)(c(c(cc3OC(C4O)OC(C(O)C4O)C)O)1)OC(c(c2)ccc(c2O)OC)CC1=O
M END
