Mol:FL5FAAGS0033
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 |
| − | -4.4130 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4130 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4130 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4130 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7121 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7121 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0111 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0111 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0111 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0111 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7121 1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7121 1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3101 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3101 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6092 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6092 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6092 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6092 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3101 1.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3101 1.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3101 -1.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3101 -1.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9085 1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9085 1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1940 0.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1940 0.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5204 1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5204 1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5204 1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5204 1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1940 2.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1940 2.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9085 1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9085 1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7121 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7121 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1137 1.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1137 1.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2346 2.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2346 2.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7664 -0.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7664 -0.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9727 2.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9727 2.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9121 2.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9121 2.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8571 2.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8571 2.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3456 3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3456 3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4063 2.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4063 2.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7204 2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7204 2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9800 3.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9800 3.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1137 2.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1137 2.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0481 -2.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0481 -2.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7436 -2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7436 -2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4923 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4923 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7436 -0.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7436 -0.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0481 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0481 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2030 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2030 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1737 -1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1737 -1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1552 -3.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1552 -3.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5525 -3.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5525 -3.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2739 -2.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2739 -2.2805 0.0000 C 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 |
| − | 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 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 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 35 21 1 0 0 0 0 | + | 35 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0033 | + | ID FL5FAAGS0033 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES c(O)(c1)cc(c(C(=O)4)c(OC(=C(OC(C(O)5)OC(C)C(C5O)O)4)c(c3)ccc(c3)OC(C(O)2)OCC(O)C(O)2)1)O | + | SMILES c(O)(c1)cc(c(C(=O)4)c(OC(=C(OC(C(O)5)OC(C)C(C5O)O)4)c(c3)ccc(c3)OC(C(O)2)OCC(O)C(O)2)1)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
-4.4130 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4130 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7121 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0111 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0111 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7121 1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3101 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6092 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6092 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3101 1.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3101 -1.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9085 1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1940 0.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5204 1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5204 1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1940 2.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9085 1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7121 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1137 1.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2346 2.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7664 -0.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9727 2.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9121 2.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8571 2.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3456 3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4063 2.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7204 2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9800 3.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1137 2.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 -2.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7436 -2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4923 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7436 -0.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2030 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1737 -1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1552 -3.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5525 -3.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2739 -2.2805 0.0000 C 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
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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 20 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 21 1 0 0 0 0
S SKP 5
ID FL5FAAGS0033
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(O)(c1)cc(c(C(=O)4)c(OC(=C(OC(C(O)5)OC(C)C(C5O)O)4)c(c3)ccc(c3)OC(C(O)2)OCC(O)C(O)2)1)O
M END
