Mol:FL5FAAGS0016
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 |
| − | -0.6298 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6298 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6298 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6298 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0713 -1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0713 -1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7724 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7724 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7724 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7724 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0713 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0713 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4735 -1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4735 -1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1746 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1746 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1746 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1746 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4735 0.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4735 0.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4735 -1.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4735 -1.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8755 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8755 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5900 0.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5900 0.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3046 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3046 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3046 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3046 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5900 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5900 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8755 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8755 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0713 -1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0713 -1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3307 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3307 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0189 1.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0189 1.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8935 -1.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8935 -1.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3567 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3567 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7719 -0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7719 -0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9297 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9297 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1170 0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1170 0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7075 0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7075 0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4443 0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4443 0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0189 0.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0189 0.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5196 -0.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5196 -0.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2245 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2245 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0668 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0668 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0026 0.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0026 0.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5989 1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5989 1.7713 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 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 3 31 32 33 | + | M SAL 1 3 31 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 ^COOH | + | M SMT 1 ^COOH |
| − | M SBV 1 36 0.6225 -0.6225 | + | M SBV 1 36 0.6225 -0.6225 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0016 | + | ID FL5FAAGS0016 |
| − | FORMULA C21H18O12 | + | FORMULA C21H18O12 |
| − | EXACTMASS 462.07982604 | + | EXACTMASS 462.07982604 |
| − | AVERAGEMASS 462.36042 | + | AVERAGEMASS 462.36042 |
| − | SMILES c(c3)(OC(C(O)4)OC(C(O)=O)C(O)C4O)cc(c2c3O)OC(=C(C(=O)2)O)c(c1)ccc(O)c1 | + | SMILES c(c3)(OC(C(O)4)OC(C(O)=O)C(O)C4O)cc(c2c3O)OC(=C(C(=O)2)O)c(c1)ccc(O)c1 |
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
-0.6298 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6298 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0713 -1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7724 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7724 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0713 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4735 -1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1746 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1746 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4735 0.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4735 -1.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8755 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5900 0.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3046 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3046 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5900 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8755 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0713 -1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3307 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0189 1.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8935 -1.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3567 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7719 -0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9297 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1170 0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7075 0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4443 0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0189 0.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5196 -0.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2245 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0668 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0026 0.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5989 1.7713 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 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 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
31 32 2 0 0 0 0
31 33 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 3 31 32 33
M SBL 1 1 36
M SMT 1 ^COOH
M SBV 1 36 0.6225 -0.6225
S SKP 5
ID FL5FAAGS0016
FORMULA C21H18O12
EXACTMASS 462.07982604
AVERAGEMASS 462.36042
SMILES c(c3)(OC(C(O)4)OC(C(O)=O)C(O)C4O)cc(c2c3O)OC(=C(C(=O)2)O)c(c1)ccc(O)c1
M END
