Mol:FLIA1CNS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1253 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1253 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1253 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1253 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6249 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6249 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1244 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1244 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1244 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1244 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6249 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6249 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6240 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6240 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1235 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1235 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1235 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1235 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6240 0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6240 0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6240 -0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6240 -0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3766 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3766 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3766 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3766 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8407 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8407 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8407 -0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8407 -0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7681 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7681 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4825 1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4825 1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9825 2.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9825 2.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7681 -0.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7681 -0.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4825 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4825 -0.4858 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 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 12 2 0 0 0 0 | + | 17 12 2 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 1.7681 -0.0733 | + | M SVB 2 23 1.7681 -0.0733 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -2.4825 1.1446 | + | M SVB 1 21 -2.4825 1.1446 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1CNS0002 | + | ID FLIA1CNS0002 |
| − | KNApSAcK_ID C00002571 | + | KNApSAcK_ID C00002571 |
| − | NAME Sayanedine | + | NAME Sayanedine |
| − | CAS_RN 30564-92-2 | + | CAS_RN 30564-92-2 |
| − | FORMULA C17H14O5 | + | FORMULA C17H14O5 |
| − | EXACTMASS 298.084123558 | + | EXACTMASS 298.084123558 |
| − | AVERAGEMASS 298.29006 | + | AVERAGEMASS 298.29006 |
| − | SMILES COc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cc(OC)c(O)c1 | + | SMILES COc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cc(OC)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1253 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1253 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1244 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1244 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6240 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6240 0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6240 -0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8407 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8407 -0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7681 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4825 1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9825 2.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7681 -0.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4825 -0.4858 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
8 12 1 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 17 1 0 0 0 0
17 12 2 0 0 0 0
15 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 1.7681 -0.0733
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.4825 1.1446
S SKP 8
ID FLIA1CNS0002
KNApSAcK_ID C00002571
NAME Sayanedine
CAS_RN 30564-92-2
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES COc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cc(OC)c(O)c1
M END
