Mol:FL2FAAGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.1194 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1194 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1194 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1194 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4049 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4049 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6905 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6905 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6905 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6905 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4049 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4049 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9760 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9760 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2615 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2615 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2615 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2615 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9760 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9760 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5473 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5473 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1809 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1809 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9091 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9091 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9091 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9091 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1809 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1809 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5473 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5473 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9760 -1.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9760 -1.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8338 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8338 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6373 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6373 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4049 -2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4049 -2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9040 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9040 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5595 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5595 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2220 1.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2220 1.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8884 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8884 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2330 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2330 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5704 1.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5704 1.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3072 1.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3072 1.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9476 2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9476 2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8338 1.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8338 1.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4577 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4577 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4302 -0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4302 -0.0036 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 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 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 -0.5693 0.0000 | + | M SBV 1 34 -0.5693 0.0000 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAAGS0008 | + | ID FL2FAAGS0008 |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES c(c1C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 | + | SMILES c(c1C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-4.1194 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1194 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4049 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4049 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9760 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2615 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2615 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9760 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5473 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1809 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1809 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5473 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9760 -1.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8338 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6373 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4049 -2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9040 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5595 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2220 1.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8884 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2330 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5704 1.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3072 1.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9476 2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8338 1.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4577 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4302 -0.0036 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 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
22 19 1 0 0 0 0
30 31 1 0 0 0 0
24 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -0.5693 0.0000
S SKP 5
ID FL2FAAGS0008
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES c(c1C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1
M END
