Mol:FL3FAADS0001
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 |
| − | -1.0763 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0763 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0763 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0763 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3526 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3526 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3526 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3526 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0670 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0670 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7814 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7814 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7814 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7814 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0670 -0.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0670 -0.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0670 -2.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0670 -2.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -2.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -2.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6546 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6546 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4074 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4074 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1602 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1602 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1602 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1602 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4074 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4074 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6546 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6546 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9127 0.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9127 0.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3555 -2.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3555 -2.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6932 -2.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6932 -2.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0310 -2.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0310 -2.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1305 -2.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1305 -2.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7662 -1.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7662 -1.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4813 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4813 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9127 -2.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9127 -2.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3354 -2.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3354 -2.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4875 -0.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4875 -0.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4857 -2.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4857 -2.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0395 2.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0395 2.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9339 2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9339 2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9209 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9209 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4630 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4630 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6406 0.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6406 0.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5811 1.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5811 1.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0395 2.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0395 2.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6132 2.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6132 2.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5961 1.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5961 1.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0064 -1.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0064 -1.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6173 -0.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6173 -0.5636 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 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 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 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 28 1 0 0 0 0 | + | 33 28 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 0.5252 -0.5252 | + | M SBV 1 44 0.5252 -0.5252 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAADS0001 | + | ID FL3FAADS0001 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES c(c1)(ccc(C(=C5)Oc(c2C5=O)cc(OC(C(O)4)OCC(O)C4O)c(C(C(O)3)OC(C(O)C(O)3)CO)c2O)c1)O | + | SMILES c(c1)(ccc(C(=C5)Oc(c2C5=O)cc(OC(C(O)4)OCC(O)C4O)c(C(C(O)3)OC(C(O)C(O)3)CO)c2O)c1)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
-1.0763 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0763 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3526 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3526 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7814 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7814 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -0.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -2.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -2.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6546 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1602 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1602 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6546 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9127 0.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3555 -2.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6932 -2.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0310 -2.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1305 -2.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7662 -1.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4813 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9127 -2.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3354 -2.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4875 -0.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4857 -2.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0395 2.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9339 2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9209 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4630 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6406 0.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5811 1.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0395 2.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6132 2.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5961 1.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0064 -1.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6173 -0.5636 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 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
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 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 28 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 0.5252 -0.5252
S SKP 5
ID FL3FAADS0001
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c1)(ccc(C(=C5)Oc(c2C5=O)cc(OC(C(O)4)OCC(O)C4O)c(C(C(O)3)OC(C(O)C(O)3)CO)c2O)c1)O
M END
