Mol:FLIA1CNS0007
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 |
| − | -2.1831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4901 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4901 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7878 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7878 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7878 -0.5220 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 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 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 2.0247 -0.7282 | + | M SVB 2 23 2.0247 -0.7282 |
| − | 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 0.7756 -1.0369 | + | M SVB 1 21 0.7756 -1.0369 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1CNS0007 | + | ID FLIA1CNS0007 |
| − | KNApSAcK_ID C00009398 | + | KNApSAcK_ID C00009398 |
| − | NAME Cladrin;7-Hydroxy-3',4'-dimethoxyisoflavone | + | NAME Cladrin;7-Hydroxy-3',4'-dimethoxyisoflavone |
| − | CAS_RN 24160-14-3 | + | CAS_RN 24160-14-3 |
| − | FORMULA C17H14O5 | + | FORMULA C17H14O5 |
| − | EXACTMASS 298.084123558 | + | EXACTMASS 298.084123558 |
| − | AVERAGEMASS 298.29006 | + | AVERAGEMASS 298.29006 |
| − | SMILES COc(c3)c(OC)cc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)c(OC)cc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 |
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
-2.1831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7878 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 -0.5220 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
1 11 1 0 0 0 0
8 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
7 18 2 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
15 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 2.0247 -0.7282
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 0.7756 -1.0369
S SKP 8
ID FLIA1CNS0007
KNApSAcK_ID C00009398
NAME Cladrin;7-Hydroxy-3',4'-dimethoxyisoflavone
CAS_RN 24160-14-3
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES COc(c3)c(OC)cc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M END
