Mol:FL2F1CNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8057 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8057 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2848 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2848 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7639 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7639 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7639 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7639 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2848 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2848 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8057 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8057 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2430 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2430 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2779 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2779 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2779 -0.3386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2779 -0.3386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2430 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2430 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7983 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7983 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2430 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2430 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3326 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3326 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3326 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3326 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7983 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7983 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2848 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2848 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8051 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8051 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8051 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8051 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2848 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2848 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3255 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3255 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3255 0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3255 0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0745 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0745 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4609 1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4609 1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1629 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1629 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6629 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6629 1.1461 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 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 16 1 0 0 0 0 | + | 25 16 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 -2.1629 0.2801 | + | M SVB 1 29 -2.1629 0.2801 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1CNI0003 | + | ID FL2F1CNI0003 |
| − | KNApSAcK_ID C00008394 | + | KNApSAcK_ID C00008394 |
| − | NAME O-Methylovaliflavanone C | + | NAME O-Methylovaliflavanone C |
| − | CAS_RN 115219-94-8 | + | CAS_RN 115219-94-8 |
| − | FORMULA C22H22O5 | + | FORMULA C22H22O5 |
| − | EXACTMASS 366.146723814 | + | EXACTMASS 366.146723814 |
| − | AVERAGEMASS 366.40708000000006 | + | AVERAGEMASS 366.40708000000006 |
| − | SMILES c(c1)c(c(c(O2)c(C(=O)CC(c(c4)cc(O3)c(c4)OC3)2)1)CC=C(C)C)OC | + | SMILES c(c1)c(c(c(O2)c(C(=O)CC(c(c4)cc(O3)c(c4)OC3)2)1)CC=C(C)C)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.8057 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7639 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7639 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8057 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2430 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2779 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2779 -0.3386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2430 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2430 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3326 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3326 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3255 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3255 0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0745 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4609 1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1629 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6629 1.1461 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
5 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 16 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -2.1629 0.2801
S SKP 8
ID FL2F1CNI0003
KNApSAcK_ID C00008394
NAME O-Methylovaliflavanone C
CAS_RN 115219-94-8
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES c(c1)c(c(c(O2)c(C(=O)CC(c(c4)cc(O3)c(c4)OC3)2)1)CC=C(C)C)OC
M END
