Mol:FL5FACGS0094
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.8475 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8475 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1330 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1330 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1330 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1330 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8475 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8475 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5619 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5619 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5619 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5619 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4185 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4185 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2959 1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2959 1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0104 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0104 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0104 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0104 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2959 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2959 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4185 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4185 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7249 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7249 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4394 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4394 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4394 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4394 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7249 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7249 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2959 -0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2959 -0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1538 1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1538 1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0175 -0.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0175 -0.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7249 -0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7249 -0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1538 2.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1538 2.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8475 3.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8475 3.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8199 -2.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8199 -2.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4619 -2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4619 -2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1313 -1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1313 -1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2322 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2322 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5902 -1.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5902 -1.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9207 -2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9207 -2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4125 -2.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4125 -2.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1253 -3.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1253 -3.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3990 -3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3990 -3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7281 -0.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7281 -0.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2508 -2.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2508 -2.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3601 -3.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3601 -3.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6706 -3.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6706 -3.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9900 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9900 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2888 -3.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2888 -3.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4125 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4125 -3.0917 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 29 33 2 0 0 0 0 | + | 29 33 2 0 0 0 0 |
| − | 29 38 1 0 0 0 0 | + | 29 38 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0094 | + | ID FL5FACGS0094 |
| − | FORMULA C25H26O13 | + | FORMULA C25H26O13 |
| − | EXACTMASS 534.137340918 | + | EXACTMASS 534.137340918 |
| − | AVERAGEMASS 534.46614 | + | AVERAGEMASS 534.46614 |
| − | SMILES c(c12)c(cc(O)c(C(C(OC(C(O)4)OC(C(O)C4O)C(=O)OCCCC)=C(c(c3)cc(c(c3)O)O)O2)=O)1)O | + | SMILES c(c12)c(cc(O)c(C(C(OC(C(O)4)OC(C(O)C4O)C(=O)OCCCC)=C(c(c3)cc(c(c3)O)O)O2)=O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
1.8475 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1330 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1330 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8475 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5619 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5619 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4185 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2959 1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0104 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0104 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2959 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4185 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7249 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4394 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4394 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7249 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2959 -0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1538 1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0175 -0.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7249 -0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1538 2.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8475 3.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8199 -2.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1313 -1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2322 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5902 -1.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9207 -2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 -2.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1253 -3.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3990 -3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 -0.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2508 -2.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3601 -3.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6706 -3.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9900 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2888 -3.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 -3.0917 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 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
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
29 33 2 0 0 0 0
29 38 1 0 0 0 0
26 19 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
S SKP 5
ID FL5FACGS0094
FORMULA C25H26O13
EXACTMASS 534.137340918
AVERAGEMASS 534.46614
SMILES c(c12)c(cc(O)c(C(C(OC(C(O)4)OC(C(O)C4O)C(=O)OCCCC)=C(c(c3)cc(c(c3)O)O)O2)=O)1)O
M END
