Mol:FL2FDBNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4308 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4308 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4308 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4308 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8745 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8745 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3182 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3182 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3182 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3182 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8745 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8745 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7619 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7619 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2056 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2056 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2056 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2056 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.7619 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7619 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3505 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3505 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9175 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9175 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4845 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4845 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4845 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4845 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9175 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9175 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3505 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3505 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7619 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7619 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0735 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0735 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7880 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7880 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7880 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7880 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2880 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2880 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3109 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3109 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5964 -1.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5964 -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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 -2.3109 -1.0137 | + | M SVB 3 24 -2.3109 -1.0137 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.788 0.7291 | + | M SVB 2 22 -2.788 0.7291 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 2.0735 1.4262 | + | M SVB 1 20 2.0735 1.4262 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FDBNS0001 | + | ID FL2FDBNS0001 |
| − | KNApSAcK_ID C00008229 | + | KNApSAcK_ID C00008229 |
| − | NAME Naringenin trimethyl ether | + | NAME Naringenin trimethyl ether |
| − | CAS_RN 38302-15-7 | + | CAS_RN 38302-15-7 |
| − | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
| − | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
| − | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
| − | SMILES c(C(C3)Oc(c(C(=O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1 | + | SMILES c(C(C3)Oc(c(C(=O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.4308 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4308 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8745 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3182 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3182 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8745 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7619 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2056 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2056 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7619 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3505 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9175 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4845 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4845 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9175 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3505 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7619 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0735 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7880 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7880 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2880 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3109 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5964 -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
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -2.3109 -1.0137
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.788 0.7291
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 2.0735 1.4262
S SKP 8
ID FL2FDBNS0001
KNApSAcK_ID C00008229
NAME Naringenin trimethyl ether
CAS_RN 38302-15-7
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES c(C(C3)Oc(c(C(=O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1
M END
