Mol:FL5FADGS0003
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 |
| − | -2.8930 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8930 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8930 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8930 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1786 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1786 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4643 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4643 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4642 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4642 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1786 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1786 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7498 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7498 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0355 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0355 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0354 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0354 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7498 0.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7498 0.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7498 -2.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7498 -2.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6787 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6787 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4068 -0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4068 -0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1349 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1349 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1348 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1348 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4067 1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4067 1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6787 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6787 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6071 0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6071 0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8080 -1.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8080 -1.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0225 -1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0225 -1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2741 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2741 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0014 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0014 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4510 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4510 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1995 -2.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1995 -2.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4721 -2.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4721 -2.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5444 -1.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5444 -1.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2195 -2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2195 -2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6071 -3.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6071 -3.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8998 1.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8998 1.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1786 -2.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1786 -2.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4067 2.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4067 2.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9736 3.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9736 3.2824 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 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 0.0000 -0.7450 | + | M SBV 1 35 0.0000 -0.7450 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0003 | + | ID FL5FADGS0003 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)OC | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)OC |
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
-2.8930 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8930 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1786 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4643 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4642 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1786 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7498 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0355 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0354 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7498 0.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7498 -2.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6787 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4068 -0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1349 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1348 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4067 1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6787 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6071 0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8080 -1.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0225 -1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2741 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0014 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4510 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1995 -2.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4721 -2.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5444 -1.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2195 -2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6071 -3.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8998 1.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1786 -2.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4067 2.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9736 3.2824 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
31 32 1 0 0 0 0
16 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 OCH3
M SBV 1 35 0.0000 -0.7450
S SKP 5
ID FL5FADGS0003
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)OC
M END
