Mol:FL3FACGS0075
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.1531 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1531 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1531 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1531 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8676 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8676 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5821 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5821 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5821 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5821 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8676 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8676 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2965 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2965 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0110 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0110 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0110 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0110 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2965 0.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2965 0.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7255 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7255 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4399 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4399 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1544 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1544 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1544 1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1544 1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4399 2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4399 2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7255 1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7255 1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2965 -1.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2965 -1.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5665 0.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5665 0.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8676 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8676 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7773 2.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7773 2.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8602 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8602 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9435 -0.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9435 -0.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2288 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2288 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6421 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6421 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8414 -0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8414 -0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5561 0.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5561 0.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1429 -0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1429 -0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8359 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8359 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5372 -0.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5372 -0.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2474 -1.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2474 -1.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7651 -1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7651 -1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8287 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8287 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3822 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3822 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3822 -2.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3822 -2.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1982 -2.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1982 -2.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3660 -0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3660 -0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8303 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8303 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7474 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7474 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1982 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1982 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7882 -0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7882 -0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8602 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8602 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 39 33 1 1 0 0 0 | + | 39 33 1 1 0 0 0 |
| − | 38 33 1 1 0 0 0 | + | 38 33 1 1 0 0 0 |
| − | 37 39 1 1 0 0 0 | + | 37 39 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 39 35 1 0 0 0 0 | + | 39 35 1 0 0 0 0 |
| − | 40 37 1 0 0 0 0 | + | 40 37 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0075 | + | ID FL3FACGS0075 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES c(c3)(c(c(O)cc(OC(C(O)4)OC(COC(C5O)OCC5(CO)O)C(O)C4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O | + | SMILES c(c3)(c(c(O)cc(OC(C(O)4)OC(COC(C5O)OCC5(CO)O)C(O)C4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
0.1531 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1531 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8676 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5821 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5821 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8676 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2965 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0110 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0110 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2965 0.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7255 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4399 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1544 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1544 1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4399 2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7255 1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2965 -1.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5665 0.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8676 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7773 2.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8602 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9435 -0.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2288 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6421 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8414 -0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5561 0.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1429 -0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8359 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5372 -0.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2474 -1.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7651 -1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8287 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3822 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3822 -2.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1982 -2.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3660 -0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8303 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7474 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1982 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7882 -0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8602 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
39 33 1 1 0 0 0
38 33 1 1 0 0 0
37 39 1 1 0 0 0
33 34 1 0 0 0 0
39 35 1 0 0 0 0
40 37 1 0 0 0 0
36 41 1 0 0 0 0
38 40 1 0 0 0 0
33 36 1 0 0 0 0
29 37 1 0 0 0 0
S SKP 5
ID FL3FACGS0075
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c3)(c(c(O)cc(OC(C(O)4)OC(COC(C5O)OCC5(CO)O)C(O)C4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O
M END
