Mol:FL3FACGS0069
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.7391 0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7391 0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7391 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7391 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0380 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0380 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3370 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3370 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3370 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3370 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0380 0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0380 0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6359 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6359 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9348 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9348 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9348 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9348 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6359 0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6359 0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6359 -1.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6359 -1.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2340 0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2340 0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5195 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5195 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1949 0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1949 0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1949 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1949 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5195 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5195 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2340 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2340 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0380 -1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0380 -1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4561 0.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4561 0.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9093 1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9093 1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9515 0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9515 0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5298 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5298 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3407 0.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3407 0.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1567 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1567 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5785 0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5785 0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7674 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7674 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1696 0.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1696 0.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3091 1.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3091 1.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1885 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1885 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9153 0.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9153 0.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8710 0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8710 0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8710 1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8710 1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4561 0.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4561 0.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9520 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9520 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4008 0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4008 0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4008 -0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4008 -0.7116 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 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 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 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 24 34 1 0 0 0 0 | + | 24 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 3 34 35 36 | + | M SAL 1 3 34 35 36 |
| − | M SBL 1 1 39 | + | M SBL 1 1 39 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 39 -0.7953 -0.0811 | + | M SBV 1 39 -0.7953 -0.0811 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0069 | + | ID FL3FACGS0069 |
| − | FORMULA C23H20O13 | + | FORMULA C23H20O13 |
| − | EXACTMASS 504.090390726 | + | EXACTMASS 504.090390726 |
| − | AVERAGEMASS 504.3971 | + | AVERAGEMASS 504.3971 |
| − | SMILES c(c(O)3)cc(cc(OC(C(O)4)OC(C(O)=O)C(OC(C)=O)C(O)4)3)C(O2)=CC(c(c21)c(O)cc(O)c1)=O | + | SMILES c(c(O)3)cc(cc(OC(C(O)4)OC(C(O)=O)C(OC(C)=O)C(O)4)3)C(O2)=CC(c(c21)c(O)cc(O)c1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-4.7391 0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7391 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0380 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3370 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3370 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0380 0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6359 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9348 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9348 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6359 0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6359 -1.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2340 0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5195 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1949 0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1949 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5195 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2340 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0380 -1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4561 0.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9093 1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9515 0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5298 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3407 0.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1567 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5785 0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7674 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1696 0.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3091 1.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1885 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9153 0.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8710 0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8710 1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4561 0.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9520 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4008 0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4008 -0.7116 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
19 1 1 0 0 0 0
15 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
14 30 1 0 0 0 0
22 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
24 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 34 35 36
M SBL 1 1 39
M SMT 1 COOH
M SBV 1 39 -0.7953 -0.0811
S SKP 5
ID FL3FACGS0069
FORMULA C23H20O13
EXACTMASS 504.090390726
AVERAGEMASS 504.3971
SMILES c(c(O)3)cc(cc(OC(C(O)4)OC(C(O)=O)C(OC(C)=O)C(O)4)3)C(O2)=CC(c(c21)c(O)cc(O)c1)=O
M END
