Mol:FL5FDGGS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.0915 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0915 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0915 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0915 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3771 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3771 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6625 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6625 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6625 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6625 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3771 0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3771 0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9480 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9480 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2336 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2336 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2336 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2336 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9480 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9480 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9480 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9480 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5193 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5193 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2087 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2087 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9369 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9369 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9369 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9369 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2087 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2087 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5193 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5193 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3771 -2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3771 -2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9563 1.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9563 1.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8761 0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8761 0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6649 -0.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6649 -0.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2087 2.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2087 2.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7606 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7606 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3813 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3813 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1107 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1107 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8447 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8447 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2241 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2241 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4946 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4946 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2458 0.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2458 0.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8989 0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8989 0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8761 0.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8761 0.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1213 -1.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1213 -1.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9910 -2.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9910 -2.3116 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 8 32 1 0 0 0 0 | + | 8 32 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 -1.1122 0.6422 | + | M SBV 1 36 -1.1122 0.6422 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDGGS0002 | + | ID FL5FDGGS0002 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES C(O1)(Oc(c2)c(O)c(O)cc2C(O4)=C(C(=O)c(c43)c(cc(O)c3)O)OC)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c2)c(O)c(O)cc2C(O4)=C(C(=O)c(c43)c(cc(O)c3)O)OC)C(O)C(C(O)C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-4.0915 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0915 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3771 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6625 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6625 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3771 0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9480 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2336 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2336 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9480 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9480 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5193 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2087 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9369 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9369 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2087 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5193 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3771 -2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9563 1.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8761 0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6649 -0.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2087 2.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7606 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3813 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1107 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8447 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2241 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4946 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2458 0.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8989 0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8761 0.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1213 -1.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9910 -2.3116 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 1 0 0 0 0
14 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 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 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
21 24 1 0 0 0 0
32 33 1 0 0 0 0
8 32 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 -1.1122 0.6422
S SKP 5
ID FL5FDGGS0002
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(O1)(Oc(c2)c(O)c(O)cc2C(O4)=C(C(=O)c(c43)c(cc(O)c3)O)OC)C(O)C(C(O)C1)O
M END
