Mol:FL3FE9GS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1476 1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1476 1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1476 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1476 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4465 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4465 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2545 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2545 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2545 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2545 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4465 2.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4465 2.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9556 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9556 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6567 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6567 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6567 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6567 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9556 2.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9556 2.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2225 -0.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2225 -0.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3575 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3575 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0720 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0720 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7865 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7865 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7865 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7865 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0720 3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0720 3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3575 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3575 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4465 -0.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4465 -0.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8644 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8644 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4457 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4457 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9881 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9881 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9453 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9453 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8962 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8962 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3538 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3538 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3966 -1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3966 -1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3464 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3464 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6143 -2.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6143 -2.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6896 -2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6896 -2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8962 -3.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8962 -3.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2581 1.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2581 1.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7865 1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7865 1.3003 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 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 |
| − | 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 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 |
| − | 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 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 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 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 34 1.1105 -0.2052 | + | M SBV 1 34 1.1105 -0.2052 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FE9GS0011 | + | ID FL3FE9GS0011 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES COc(c4O)c(c(c(c4)3)C(=O)C=C(O3)c(c2)cccc2)OC(O1)C(O)C(C(O)C(C)1)O | + | SMILES COc(c4O)c(c(c(c4)3)C(=O)C=C(O3)c(c2)cccc2)OC(O1)C(O)C(C(O)C(C)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.1476 1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1476 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2545 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2545 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 2.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9556 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6567 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6567 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9556 2.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2225 -0.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3575 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0720 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7865 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7865 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0720 3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3575 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 -0.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8644 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4457 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9881 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9453 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3538 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3966 -1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3464 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6143 -2.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6896 -2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 -3.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2581 1.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7865 1.3003 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
3 18 1 0 0 0 0
19 1 1 0 0 0 0
20 21 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 20 1 0 0 0 0
20 26 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 18 1 0 0 0 0
30 31 1 0 0 0 0
2 30 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 ^ OCH3
M SBV 1 34 1.1105 -0.2052
S SKP 5
ID FL3FE9GS0011
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES COc(c4O)c(c(c(c4)3)C(=O)C=C(O3)c(c2)cccc2)OC(O1)C(O)C(C(O)C(C)1)O
M END
