Mol:FLNAA9NI0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2646 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2646 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8478 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8478 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8478 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8478 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4246 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4246 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0013 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0013 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0013 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0013 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4246 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4246 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2643 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2643 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4246 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4246 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8717 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8717 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8717 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8717 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4246 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4246 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9775 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9775 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9775 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9775 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5777 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5777 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 -1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 -1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2646 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2646 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8209 0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8209 0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8192 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8192 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8191 -1.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8191 -1.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3742 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3742 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9763 -0.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9763 -0.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5777 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5777 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2646 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2646 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2915 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2915 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8206 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8206 2.5946 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 10 18 1 0 0 0 0 | + | 10 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NI0002 | + | ID FLNAA9NI0002 |
| − | KNApSAcK_ID C00010211 | + | KNApSAcK_ID C00010211 |
| − | NAME 6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin | + | NAME 6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin |
| − | CAS_RN 54947-82-9 | + | CAS_RN 54947-82-9 |
| − | FORMULA C24H24O5 | + | FORMULA C24H24O5 |
| − | EXACTMASS 392.162373878 | + | EXACTMASS 392.162373878 |
| − | AVERAGEMASS 392.44436 | + | AVERAGEMASS 392.44436 |
| − | SMILES C(C(c(c(O)3)c(O)c(c1c3C=CC(C)C)C(c(c2)cccc2)=CC(O1)=O)=O)CC | + | SMILES C(C(c(c(O)3)c(O)c(c1c3C=CC(C)C)C(c(c2)cccc2)=CC(O1)=O)=O)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-0.2646 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8478 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8478 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0013 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0013 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2643 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8717 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8717 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9775 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9775 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5777 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 -1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2646 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8209 0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8192 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8191 -1.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3742 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9763 -0.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5777 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2646 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2915 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8206 2.5946 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
10 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 2 0 0 0 0
21 1 1 0 0 0 0
9 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
20 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FLNAA9NI0002
KNApSAcK_ID C00010211
NAME 6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin
CAS_RN 54947-82-9
FORMULA C24H24O5
EXACTMASS 392.162373878
AVERAGEMASS 392.44436
SMILES C(C(c(c(O)3)c(O)c(c1c3C=CC(C)C)C(c(c2)cccc2)=CC(O1)=O)=O)CC
M END
