Mol:FL5FGCGS0001
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 |
| − | -2.6995 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6995 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6995 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6995 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9851 -1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9851 -1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2708 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2708 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2707 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2707 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9851 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9851 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5564 -1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5564 -1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1579 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1579 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1579 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1579 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5564 0.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5564 0.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5563 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5563 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8721 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8721 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6001 0.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6001 0.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3283 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3283 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3282 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3282 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6001 1.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6001 1.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8721 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8721 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4135 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4135 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9902 -1.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9902 -1.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3784 -1.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3784 -1.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6158 -1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6158 -1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6089 -2.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6089 -2.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4201 -2.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4201 -2.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1830 -1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1830 -1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1899 -1.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1899 -1.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7628 -1.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7628 -1.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6369 -1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6369 -1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1152 -1.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1152 -1.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0560 1.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0560 1.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9850 -1.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9850 -1.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6001 2.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6001 2.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9885 1.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9885 1.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4279 2.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4279 2.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2656 -1.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2656 -1.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1830 -1.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1830 -1.6712 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 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 32 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 2 34 1 0 0 0 0 | + | 2 34 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 36 0.0035 -0.7073 | + | M SBV 1 36 0.0035 -0.7073 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 ^ OCH3 | + | M SMT 2 ^ OCH3 |
| − | M SBV 2 38 0.5661 0.4168 | + | M SBV 2 38 0.5661 0.4168 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FGCGS0001 | + | ID FL5FGCGS0001 |
| − | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
| − | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
| − | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
| − | SMILES c(c21)(OC)c(O)c(OC)c(O)c1C(C(OC(C(O)4)OCC(C(O)4)O)=C(c(c3)cc(c(O)c3)O)O2)=O | + | SMILES c(c21)(OC)c(O)c(OC)c(O)c1C(C(OC(C(O)4)OCC(C(O)4)O)=C(c(c3)cc(c(O)c3)O)O2)=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/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.6995 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6995 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9851 -1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2708 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2707 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9851 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5564 -1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1579 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1579 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5564 0.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5563 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8721 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6001 0.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3283 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3282 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6001 1.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8721 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4135 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9902 -1.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3784 -1.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6158 -1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6089 -2.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4201 -2.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1830 -1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1899 -1.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7628 -1.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6369 -1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1152 -1.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0560 1.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9850 -1.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6001 2.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9885 1.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4279 2.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2656 -1.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1830 -1.6712 0.0000 C 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
22 23 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 1 0 0 0 0
6 32 1 0 0 0 0
34 35 1 0 0 0 0
2 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 0.0035 -0.7073
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 38
M SMT 2 ^ OCH3
M SBV 2 38 0.5661 0.4168
S SKP 5
ID FL5FGCGS0001
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES c(c21)(OC)c(O)c(OC)c(O)c1C(C(OC(C(O)4)OCC(C(O)4)O)=C(c(c3)cc(c(O)c3)O)O2)=O
M END
