Mol:FL5FAGGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1994 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1994 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1994 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1994 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4849 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4849 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7705 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7705 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7705 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7705 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4849 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4849 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0560 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0560 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3415 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3415 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3415 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3415 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0560 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0560 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0560 -1.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0560 -1.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3727 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1009 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8289 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8289 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8289 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8289 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1009 1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3727 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9136 0.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9136 0.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4849 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4849 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3727 -1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 -1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1009 2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5792 1.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5792 1.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3541 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3541 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7582 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7582 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7913 -2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7913 -2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8773 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8773 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3541 -1.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3541 -1.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 -0.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 -0.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5569 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5569 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8773 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8773 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9136 -2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9136 -2.6564 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 0.0000 0.7008 | + | M SBV 1 35 0.0000 0.7008 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0001 | + | ID FL5FAGGS0001 |
| − | FORMULA C20H18O12 | + | FORMULA C20H18O12 |
| − | EXACTMASS 450.07982604 | + | EXACTMASS 450.07982604 |
| − | AVERAGEMASS 450.34972 | + | AVERAGEMASS 450.34972 |
| − | SMILES O(C(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O | + | SMILES O(C(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(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/
32 35 0 0 0 0 0 0 0 0999 V2000
-3.1994 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1994 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4849 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7705 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7705 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4849 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0560 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3415 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3415 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0560 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0560 -1.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8289 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8289 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9136 0.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4849 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 -1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5792 1.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3541 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7582 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7913 -2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8773 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3541 -1.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 -0.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5569 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8773 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9136 -2.6564 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
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 23 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
25 20 1 0 0 0 0
14 30 1 0 0 0 0
31 32 1 0 0 0 0
27 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 0.0000 0.7008
S SKP 5
ID FL5FAGGS0001
FORMULA C20H18O12
EXACTMASS 450.07982604
AVERAGEMASS 450.34972
SMILES O(C(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O
M END
