Mol:FL5FFCGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.4062 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4062 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4062 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4062 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6918 -1.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6918 -1.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0226 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0226 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0226 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0226 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6918 -0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6918 -0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7370 -1.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7370 -1.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4515 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4515 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4515 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4515 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7370 -0.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7370 -0.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7370 -2.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7370 -2.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1656 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1656 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8938 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8938 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6220 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6220 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6220 0.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6220 0.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8938 1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8938 1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1656 0.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1656 0.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1204 -0.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1204 -0.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6918 -2.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6918 -2.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1656 -1.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1656 -1.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8938 1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8938 1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3721 1.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3721 1.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6918 0.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6918 0.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6919 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6919 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8852 -0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8852 -0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1411 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1411 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8852 1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8852 1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6919 2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6919 2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4360 1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4360 1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4027 2.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4027 2.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9044 2.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9044 2.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1810 1.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1810 1.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3721 0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3721 0.2290 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 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 24 1 1 0 0 0 | + | 29 24 1 1 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 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFCGS0004 | + | ID FL5FFCGS0004 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(c23)(OC(c(c4)cc(c(O)c4)O)=C(C3=O)O)c(c(cc2O)OC(O1)C(O)C(O)C(O)C(C)1)O | + | SMILES c(c23)(OC(c(c4)cc(c(O)c4)O)=C(C3=O)O)c(c(cc2O)OC(O1)C(O)C(O)C(O)C(C)1)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
-1.4062 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4062 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 -1.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0226 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0226 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 -0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7370 -1.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4515 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4515 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7370 -0.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7370 -2.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1656 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8938 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6220 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6220 0.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8938 1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1656 0.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1204 -0.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 -2.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1656 -1.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8938 1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3721 1.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 0.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6919 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8852 -0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1411 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8852 1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6919 2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4360 1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4027 2.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9044 2.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1810 1.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3721 0.2290 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
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 1 0 0 0
29 24 1 1 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
29 32 1 0 0 0 0
24 33 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 5
ID FL5FFCGS0004
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(c23)(OC(c(c4)cc(c(O)c4)O)=C(C3=O)O)c(c(cc2O)OC(O1)C(O)C(O)C(O)C(C)1)O
M END
