Mol:FL2FCANI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9878 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9878 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4669 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4669 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9460 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9460 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9460 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9460 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4669 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4669 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9878 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9878 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4252 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4252 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9043 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9043 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9043 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.9043 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.4252 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4252 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3839 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3839 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4252 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4252 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1505 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1505 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6848 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6848 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6848 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6848 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1505 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1505 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3839 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3839 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4669 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4669 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2183 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2183 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7518 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7518 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2840 1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2840 1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8151 1.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8151 1.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3450 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3450 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8151 0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8151 0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3450 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3450 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8449 1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8449 1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -3.345 0.7573 | + | M SVB 1 27 -3.345 0.7573 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCANI0002 | + | ID FL2FCANI0002 |
| − | KNApSAcK_ID C00008493 | + | KNApSAcK_ID C00008493 |
| − | NAME 5-Hydroxy-7-methoxy-4'-prenyloxyflavanone | + | NAME 5-Hydroxy-7-methoxy-4'-prenyloxyflavanone |
| − | CAS_RN 14117-55-6 | + | CAS_RN 14117-55-6 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES c(c1C(C2)Oc(c3)c(c(cc3OC)O)C(=O)2)cc(OCC=C(C)C)cc1 | + | SMILES c(c1C(C2)Oc(c3)c(c(cc3OC)O)C(=O)2)cc(OCC=C(C)C)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.9878 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4669 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9460 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9460 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4669 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9043 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9043 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4252 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3839 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1505 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6848 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6848 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1505 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3839 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4669 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2183 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7518 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2840 1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 1.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3450 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3450 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8449 1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -3.345 0.7573
S SKP 8
ID FL2FCANI0002
KNApSAcK_ID C00008493
NAME 5-Hydroxy-7-methoxy-4'-prenyloxyflavanone
CAS_RN 14117-55-6
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES c(c1C(C2)Oc(c3)c(c(cc3OC)O)C(=O)2)cc(OCC=C(C)C)cc1
M END
