Mol:FLIAAACS0003
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 |
| − | -0.8226 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8226 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8226 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8226 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1081 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1081 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6064 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6064 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6064 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6064 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1081 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1081 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3208 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3208 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0353 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0353 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0353 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0353 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3208 -0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3208 -0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3208 -2.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3208 -2.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5368 -0.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5368 -0.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8238 0.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8238 0.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0944 0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0944 0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3259 1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3259 1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0944 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0944 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8238 2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8238 2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5925 1.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5925 1.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6323 3.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6323 3.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1329 2.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1329 2.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1350 2.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1350 2.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2943 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2943 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8503 1.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8503 1.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4317 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4317 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7392 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7392 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7750 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7750 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1836 1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1836 1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2974 1.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2974 1.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7392 0.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7392 0.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7750 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7750 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7230 -2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7230 -2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4499 -3.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4499 -3.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1769 -2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1769 -2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1769 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1769 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4499 -1.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4499 -1.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7230 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7230 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9034 -3.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9034 -3.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1081 -2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1081 -2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7392 1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7392 1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9034 1.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9034 1.5760 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 |
| − | 14 13 1 1 0 0 0 | + | 14 13 1 1 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 13 1 1 0 0 0 | + | 18 13 1 1 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 6 14 1 0 0 0 0 | + | 6 14 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 24 1 0 0 0 0 | + | 28 24 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 8 36 1 0 0 0 0 | + | 8 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 3 38 1 0 0 0 0 | + | 3 38 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 25 39 1 0 0 0 0 | + | 25 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 0.0000 -0.4910 | + | M SBV 1 44 0.0000 -0.4910 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIAAACS0003 | + | ID FLIAAACS0003 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES c(c51)(C(=O)C(=CO5)c(c4)ccc(c4)O)c(cc(O)c1C(C(O)2)OC(COC(C3O)OCC3(CO)O)C(O)C2O)O | + | SMILES c(c51)(C(=O)C(=CO5)c(c4)ccc(c4)O)c(cc(O)c1C(C(O)2)OC(COC(C3O)OCC3(CO)O)C(O)C2O)O |
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
-0.8226 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8226 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1081 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6064 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6064 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1081 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3208 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0353 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0353 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3208 -0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3208 -2.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5368 -0.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8238 0.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0944 0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3259 1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0944 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8238 2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5925 1.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6323 3.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1329 2.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1350 2.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2943 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8503 1.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4317 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7392 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7750 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1836 1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2974 1.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7392 0.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7750 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7230 -2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4499 -3.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1769 -2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1769 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4499 -1.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7230 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9034 -3.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1081 -2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7392 1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9034 1.5760 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
14 13 1 1 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 1 0 0 0
18 13 1 1 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
18 21 1 0 0 0 0
15 22 1 0 0 0 0
6 14 1 0 0 0 0
21 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 24 1 0 0 0 0
25 29 1 0 0 0 0
26 30 1 0 0 0 0
27 23 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 31 1 0 0 0 0
8 36 1 0 0 0 0
33 37 1 0 0 0 0
3 38 1 0 0 0 0
39 40 1 0 0 0 0
25 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 0.0000 -0.4910
S SKP 5
ID FLIAAACS0003
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c51)(C(=O)C(=CO5)c(c4)ccc(c4)O)c(cc(O)c1C(C(O)2)OC(COC(C3O)OCC3(CO)O)C(O)C2O)O
M END
