Mol:FL3FF8GS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0518 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0518 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0518 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0518 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6493 -1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6493 -1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3502 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3502 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3502 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3502 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6493 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6493 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0513 -1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0513 -1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7525 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7525 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7525 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7525 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0513 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0513 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0513 -2.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0513 -2.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4533 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4533 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1677 -0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1677 -0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8822 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8822 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8822 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8822 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1677 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1677 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4533 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4533 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8592 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8592 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1198 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1198 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4787 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4787 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5555 -0.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5555 -0.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6646 -0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6646 -0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3119 0.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3119 0.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1196 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1196 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8822 -0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8822 -0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3118 -0.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3118 -0.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7363 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7363 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6493 -2.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6493 -2.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6493 0.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6493 0.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2449 2.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2449 2.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7500 1.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7500 1.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9728 2.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9728 2.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6446 0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6446 0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6703 0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6703 0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1317 1.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1317 1.4496 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 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 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 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 -0.6612 | + | M SBV 1 33 0.0000 -0.6612 |
| − | 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 ^ OCH3 | + | M SMT 2 ^ OCH3 |
| − | M SBV 2 35 0.7033 -0.4061 | + | M SBV 2 35 0.7033 -0.4061 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 3 33 34 35 | + | M SAL 3 3 33 34 35 |
| − | M SBL 3 1 38 | + | M SBL 3 1 38 |
| − | M SMT 3 ^ COOH | + | M SMT 3 ^ COOH |
| − | M SBV 3 38 0.5249 -0.6530 | + | M SBV 3 38 0.5249 -0.6530 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FF8GS0002 | + | ID FL3FF8GS0002 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES O(c(c2)c(OC)c(O3)c(C(=O)C=C3c(c4)c(OC)ccc4)c(O)2)C(O1)C(O)C(C(O)C1C(O)=O)O | + | SMILES O(c(c2)c(OC)c(O3)c(C(=O)C=C3c(c4)c(OC)ccc4)c(O)2)C(O1)C(O)C(C(O)C1C(O)=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.0518 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0518 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 -1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3502 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3502 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0513 -1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7525 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7525 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0513 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0513 -2.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4533 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1677 -0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8822 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8822 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1677 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4533 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8592 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1198 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4787 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -0.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6646 -0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3119 0.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1196 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8822 -0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3118 -0.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7363 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 -2.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 0.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2449 2.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7500 1.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9728 2.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6446 0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6703 0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1317 1.4496 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
18 1 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 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 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
3 28 1 0 0 0 0
29 30 1 0 0 0 0
6 29 1 0 0 0 0
31 32 1 0 0 0 0
17 31 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
24 33 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 -0.6612
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 ^ OCH3
M SBV 2 35 0.7033 -0.4061
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 33 34 35
M SBL 3 1 38
M SMT 3 ^ COOH
M SBV 3 38 0.5249 -0.6530
S SKP 5
ID FL3FF8GS0002
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES O(c(c2)c(OC)c(O3)c(C(=O)C=C3c(c4)c(OC)ccc4)c(O)2)C(O1)C(O)C(C(O)C1C(O)=O)O
M END
