Mol:FL3FAACS0067
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 |
| − | 2.3035 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3035 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3035 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3035 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0180 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0180 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7325 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7325 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7325 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7325 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0180 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0180 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5498 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5498 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8354 -0.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8354 -0.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1209 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1209 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1209 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1209 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8354 -2.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8354 -2.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5498 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5498 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5936 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5936 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3080 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3080 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3080 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3080 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5936 -2.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5936 -2.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9791 -0.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9791 -0.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5936 -2.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5936 -2.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8354 -2.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8354 -2.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3353 0.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3353 0.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0897 -1.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0897 -1.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6772 -2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6772 -2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8791 -2.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8791 -2.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0859 -2.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0859 -2.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4983 -1.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4983 -1.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2964 -1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2964 -1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9261 -1.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9261 -1.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3353 -2.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3353 -2.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4399 -2.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4399 -2.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1648 2.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1648 2.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6586 1.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6586 1.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1512 0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1512 0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0464 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0464 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5526 0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5526 0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0599 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0599 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3429 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3429 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5062 2.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5062 2.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7575 2.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7575 2.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8231 2.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8231 2.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4410 0.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4410 0.4444 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 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 15 1 0 0 0 0 | + | 24 15 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 |
| − | 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 |
| − | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 13 33 1 0 0 0 0 | + | 13 33 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0067 | + | ID FL3FAACS0067 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O | + | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O |
M END | M END | ||
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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
2.3035 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3035 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0180 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7325 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7325 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0180 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5498 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8354 -0.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1209 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1209 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8354 -2.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5498 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5936 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5936 -2.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9791 -0.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5936 -2.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8354 -2.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3353 0.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0897 -1.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6772 -2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8791 -2.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0859 -2.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4983 -1.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2964 -1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9261 -1.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3353 -2.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 -2.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1648 2.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6586 1.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1512 0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0464 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5526 0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0599 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3429 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5062 2.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7575 2.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8231 2.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4410 0.4444 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 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 0 0 0 0
5 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 15 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
35 36 1 0 0 0 0
36 37 1 0 0 0 0
30 38 1 0 0 0 0
31 39 1 0 0 0 0
32 40 1 0 0 0 0
13 33 1 0 0 0 0
S SKP 5
ID FL3FAACS0067
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O
M END
