Mol:FL5FACGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4681 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4681 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4681 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4681 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7536 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7536 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0391 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0391 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0391 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0391 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7536 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7536 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3898 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3898 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3898 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3898 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 1.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 1.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 -0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 -0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1040 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1040 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8321 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8321 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5603 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5603 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5603 2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5603 2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8321 3.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8321 3.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1040 2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1040 2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1823 1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1823 1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7536 -0.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7536 -0.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1823 3.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1823 3.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1040 0.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1040 0.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8321 3.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8321 3.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8193 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8193 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2448 -2.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2448 -2.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7274 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7274 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0965 -1.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0965 -1.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1697 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1697 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2457 -0.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2457 -0.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7176 -2.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7176 -2.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8232 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8232 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2826 -3.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2826 -3.8894 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 |
| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 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 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 0.0038 1.0676 | + | M SBV 1 34 0.0038 1.0676 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0001 | + | ID FL5FACGS0001 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.4681 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4681 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3898 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3898 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 1.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1040 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8321 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5603 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5603 2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8321 3.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1040 2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1823 1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 -0.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1823 3.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1040 0.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8321 3.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8193 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 -2.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7274 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0965 -1.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1697 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2457 -0.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7176 -2.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8232 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2826 -3.8894 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
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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
16 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 23 1 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
26 21 1 0 0 0 0
30 31 1 0 0 0 0
23 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 0.0038 1.0676
S SKP 5
ID FL5FACGS0001
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C1O
M END
