Mol:FL3FAACS0047
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3401 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3401 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3401 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3401 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6256 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6256 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0888 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0888 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0888 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0888 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6256 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6256 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8033 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8033 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5178 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5178 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5178 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5178 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8033 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8033 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8033 -2.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8033 -2.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0543 -0.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0543 -0.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6256 -3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6256 -3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3115 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3115 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0643 -1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0643 -1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8172 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8172 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8172 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8172 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0643 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0643 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3115 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3115 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5697 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5697 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3637 2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3637 2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1413 1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1413 1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8114 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8114 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8025 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8025 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2075 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2075 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5993 1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5993 1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7128 3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7128 3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1413 2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1413 2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4184 0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4184 0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8892 0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8892 0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4125 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4125 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7260 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7260 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0637 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0637 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5451 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5451 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1456 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1456 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5697 0.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5697 0.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1557 -0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1557 -0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1294 -0.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1294 -0.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0895 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0895 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8281 1.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8281 1.5255 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 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 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 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 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 26 39 1 0 0 0 0 | + | 26 39 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 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 44 -0.5098 -0.5098 | + | M SBV 1 44 -0.5098 -0.5098 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0047 | + | ID FL3FAACS0047 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES OC(C(O)1)C(O)COC(OC(C2O)C(c(c34)c(O)cc(c(C(C=C(c(c5)ccc(O)c5)O4)=O)3)O)OC(C(O)2)CO)1 | + | SMILES OC(C(O)1)C(O)COC(OC(C2O)C(c(c34)c(O)cc(c(C(C=C(c(c5)ccc(O)c5)O4)=O)3)O)OC(C(O)2)CO)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.3401 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3401 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0888 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0888 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8033 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5178 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5178 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8033 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8033 -2.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0543 -0.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 -3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3115 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0643 -1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8172 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8172 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0643 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3115 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5697 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3637 2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1413 1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8025 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5993 1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7128 3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1413 2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4184 0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8892 0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4125 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7260 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0637 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5451 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1456 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5697 0.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1557 -0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1294 -0.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0895 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8281 1.5255 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
1 12 1 0 0 0 0
3 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
14 9 1 0 0 0 0
17 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
6 24 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 29 1 0 0 0 0
39 40 1 0 0 0 0
26 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.5098 -0.5098
S SKP 5
ID FL3FAACS0047
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES OC(C(O)1)C(O)COC(OC(C2O)C(c(c34)c(O)cc(c(C(C=C(c(c5)ccc(O)c5)O4)=O)3)O)OC(C(O)2)CO)1
M END
