Mol:FL3FACCS0053
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 |
| − | 1.6227 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6227 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9083 1.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9083 1.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1938 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1938 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1938 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1938 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9083 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9083 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6227 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6227 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5207 1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5207 1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2351 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2351 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2351 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2351 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5207 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5207 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8809 1.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8809 1.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5207 -1.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5207 -1.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9083 -0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9083 -0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4045 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4045 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1190 0.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1190 0.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8334 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8334 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8334 2.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8334 2.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1190 2.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1190 2.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4045 2.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4045 2.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4486 2.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4486 2.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4876 0.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4876 0.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5881 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5881 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0006 -0.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0006 -0.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2073 -0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2073 -0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4093 -0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4093 -0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9967 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9967 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7900 -0.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7900 -0.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3131 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3131 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4876 -0.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4876 -0.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8027 -0.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8027 -0.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6082 -0.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6082 -0.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0521 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0521 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4647 -1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4647 -1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6712 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6712 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8729 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8729 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4602 -1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4602 -1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2537 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2537 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8569 -2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8569 -2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0842 -2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0842 -2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9194 -1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9194 -1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7866 -1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7866 -1.3398 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 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 25 24 1 1 0 0 0 | + | 25 24 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 |
| − | 26 9 1 0 0 0 0 | + | 26 9 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 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 |
| − | 35 34 1 1 0 0 0 | + | 35 34 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 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0053 | + | ID FL3FACCS0053 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES c(c3O)(C(C(OC(C(O)5)OC(C)C(C5O)O)4)OC(C(O)C4O)C)c(cc(c32)OC(=CC2=O)c(c1)ccc(c1O)O)O | + | SMILES c(c3O)(C(C(OC(C(O)5)OC(C)C(C5O)O)4)OC(C(O)C4O)C)c(cc(c32)OC(=CC2=O)c(c1)ccc(c1O)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
1.6227 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9083 1.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1938 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1938 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9083 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6227 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5207 1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2351 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2351 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5207 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8809 1.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5207 -1.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9083 -0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4045 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1190 0.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8334 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8334 2.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1190 2.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4045 2.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4486 2.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4876 0.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5881 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0006 -0.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2073 -0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4093 -0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9967 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 -0.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3131 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4876 -0.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8027 -0.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6082 -0.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0521 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4647 -1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8729 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4602 -1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8569 -2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0842 -2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9194 -1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7866 -1.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 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
26 9 1 0 0 0 0
22 28 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
35 34 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
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
36 31 1 0 0 0 0
S SKP 5
ID FL3FACCS0053
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c3O)(C(C(OC(C(O)5)OC(C)C(C5O)O)4)OC(C(O)C4O)C)c(cc(c32)OC(=CC2=O)c(c1)ccc(c1O)O)O
M END
