Mol:FL5FFCGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2024 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2024 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2024 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2024 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4879 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4879 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7735 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7735 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7735 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7735 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4879 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4879 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0590 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0590 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6554 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6554 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6554 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6554 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0590 -0.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0590 -0.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0590 -3.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0590 -3.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3696 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3696 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0978 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0978 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8260 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8260 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8260 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8260 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0978 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0978 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3696 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3696 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9166 -0.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9166 -0.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4879 -3.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4879 -3.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3696 -2.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3696 -2.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0978 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0978 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5762 0.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5762 0.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4879 -0.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4879 -0.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8834 2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8834 2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1900 1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1900 1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6156 0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6156 0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2783 0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2783 0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1019 0.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1019 0.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6768 1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6768 1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5342 2.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5342 2.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5762 1.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5762 1.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6388 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6388 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4181 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4181 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6689 1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6689 1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9600 3.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9600 3.2351 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 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 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 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 3 33 34 35 | + | M SAL 1 3 33 34 35 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 38 -0.2587 -0.8096 | + | M SBV 1 38 -0.2587 -0.8096 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFCGS0006 | + | ID FL5FFCGS0006 |
| − | FORMULA C21H18O14 | + | FORMULA C21H18O14 |
| − | EXACTMASS 494.06965528399996 | + | EXACTMASS 494.06965528399996 |
| − | AVERAGEMASS 494.35922 | + | AVERAGEMASS 494.35922 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)1)OC(c(c2)cc(c(O)c2)O)=C(C1=O)O)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)1)OC(c(c2)cc(c(O)c2)O)=C(C1=O)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.2024 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2024 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4879 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7735 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7735 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4879 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0590 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6554 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6554 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0590 -0.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0590 -3.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3696 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0978 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8260 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8260 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0978 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3696 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9166 -0.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4879 -3.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3696 -2.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0978 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5762 0.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4879 -0.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8834 2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1900 1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6156 0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2783 0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1019 0.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6768 1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5342 2.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5762 1.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6388 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4181 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6689 1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9600 3.2351 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
8 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
6 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
23 27 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
29 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 33 34 35
M SBL 1 1 38
M SMT 1 COOH
M SBV 1 38 -0.2587 -0.8096
S SKP 5
ID FL5FFCGS0006
FORMULA C21H18O14
EXACTMASS 494.06965528399996
AVERAGEMASS 494.35922
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)1)OC(c(c2)cc(c(O)c2)O)=C(C1=O)O)O)O
M END
