Mol:FL5FFAGS0015
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -3.8185 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8185 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8185 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8185 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1040 -2.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1040 -2.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3896 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3896 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3896 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3896 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1040 -0.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1040 -0.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6751 -2.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6751 -2.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9606 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9606 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9606 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9606 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6751 -0.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6751 -0.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6751 -2.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6751 -2.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0610 -0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0610 -0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6671 -0.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6671 -0.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3953 -0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3953 -0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3953 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3953 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6671 1.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6671 1.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0610 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0610 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1040 -2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1040 -2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1746 1.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1746 1.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2372 -2.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2372 -2.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6719 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6719 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1040 0.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1040 0.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7456 2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7456 2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9311 1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9311 1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4013 1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4013 1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0304 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0304 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9232 1.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9232 1.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4264 1.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4264 1.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3141 2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3141 2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3637 2.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3637 2.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4916 0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4916 0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3144 1.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3144 1.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9281 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9281 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6711 1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6711 1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4185 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4185 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8048 1.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8048 1.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0619 1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0619 1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6601 1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6601 1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4723 1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4723 1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3637 1.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3637 1.3952 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 33 19 1 0 0 0 0 | + | 33 19 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0015 | + | ID FL5FFAGS0015 |
| − | FORMULA C25H26O15 | + | FORMULA C25H26O15 |
| − | EXACTMASS 566.127170162 | + | EXACTMASS 566.127170162 |
| − | AVERAGEMASS 566.46494 | + | AVERAGEMASS 566.46494 |
| − | SMILES c(OC(C5O)OCC(O)C5O)(c4)ccc(c4)C(=C3O)Oc(c(C3=O)2)c(c(O)cc2O)OC(O1)C(O)C(O)C(O)C1 | + | SMILES c(OC(C5O)OCC(O)C5O)(c4)ccc(c4)C(=C3O)Oc(c(C3=O)2)c(c(O)cc2O)OC(O1)C(O)C(O)C(O)C1 |
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
-3.8185 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8185 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1040 -2.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3896 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3896 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1040 -0.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6751 -2.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9606 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9606 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6751 -0.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6751 -2.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0610 -0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6671 -0.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 -0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6671 1.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0610 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1040 -2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1746 1.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2372 -2.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6719 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1040 0.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7456 2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9311 1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4013 1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0304 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9232 1.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4264 1.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3141 2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3637 2.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4916 0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3144 1.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6711 1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4185 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8048 1.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0619 1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6601 1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4723 1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3637 1.3952 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
33 19 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 5
ID FL5FFAGS0015
FORMULA C25H26O15
EXACTMASS 566.127170162
AVERAGEMASS 566.46494
SMILES c(OC(C5O)OCC(O)C5O)(c4)ccc(c4)C(=C3O)Oc(c(C3=O)2)c(c(O)cc2O)OC(O1)C(O)C(O)C(O)C1
M END
