Mol:FL2FDANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.0735 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0735 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0735 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0735 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5172 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5172 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9609 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9609 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9609 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9609 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5172 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5172 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4046 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4046 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1517 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1517 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1517 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1517 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.4046 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4046 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7078 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7078 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2747 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2747 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8417 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8417 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8417 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8417 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2747 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2747 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7078 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7078 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4046 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4046 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4308 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4308 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4308 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4308 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9309 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9309 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9537 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9537 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2392 -1.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2392 -1.4262 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 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 |
| − | 14 18 1 0 0 0 0 | + | 14 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 |
| − | 3 21 1 0 0 0 0 | + | 3 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 -1.9537 -1.0137 | + | M SVB 2 23 -1.9537 -1.0137 |
| − | 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 -2.4308 0.7291 | + | M SVB 1 21 -2.4308 0.7291 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FDANS0001 | + | ID FL2FDANS0001 |
| − | KNApSAcK_ID C00008227 | + | KNApSAcK_ID C00008227 |
| − | NAME Naringenin 5,7-dimethyl ether | + | NAME Naringenin 5,7-dimethyl ether |
| − | CAS_RN 72704-06-4 | + | CAS_RN 72704-06-4 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c1)cc(O2)c(C(=O)CC2c(c3)ccc(O)c3)c(OC)1 | + | SMILES COc(c1)cc(O2)c(C(=O)CC2c(c3)ccc(O)c3)c(OC)1 |
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
-2.0735 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0735 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5172 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9609 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9609 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5172 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4046 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1517 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1517 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4046 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7078 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2747 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8417 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8417 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2747 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7078 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4046 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4308 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4308 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9309 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9537 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2392 -1.4262 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 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
3 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 -1.9537 -1.0137
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 -2.4308 0.7291
S SKP 8
ID FL2FDANS0001
KNApSAcK_ID C00008227
NAME Naringenin 5,7-dimethyl ether
CAS_RN 72704-06-4
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c1)cc(O2)c(C(=O)CC2c(c3)ccc(O)c3)c(OC)1
M END
