Mol:FLNAA9NI0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3924 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7200 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7200 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7200 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7200 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3924 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7438 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7438 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7438 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7438 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8497 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8497 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8497 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8497 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4498 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4498 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3924 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 -1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 -1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 0.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 0.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5043 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5043 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9771 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9771 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3924 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1637 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1637 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4498 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4498 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5044 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5044 0.3454 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 19 26 2 0 0 0 0 | + | 19 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NI0003 | + | ID FLNAA9NI0003 |
| − | KNApSAcK_ID C00010219 | + | KNApSAcK_ID C00010219 |
| − | NAME 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin | + | NAME 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin |
| − | CAS_RN 30390-12-6 | + | CAS_RN 30390-12-6 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES CC(CC)C(c(c(O)1)c(c(CC=C(C)C)c(O2)c1C(c(c3)cccc3)=CC(=O)2)O)=O | + | SMILES CC(CC)C(c(c(O)1)c(c(CC=C(C)C)c(O2)c1C(c(c3)cccc3)=CC(=O)2)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.3924 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4498 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 0.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9771 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1637 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4498 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5044 0.3454 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
2 18 1 0 0 0 0
18 19 1 0 0 0 0
10 20 1 0 0 0 0
1 21 1 0 0 0 0
22 23 1 0 0 0 0
23 9 1 0 0 0 0
22 24 1 0 0 0 0
23 25 2 0 0 0 0
19 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
24 29 1 0 0 0 0
22 30 1 0 0 0 0
S SKP 8
ID FLNAA9NI0003
KNApSAcK_ID C00010219
NAME 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin
CAS_RN 30390-12-6
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES CC(CC)C(c(c(O)1)c(c(CC=C(C)C)c(O2)c1C(c(c3)cccc3)=CC(=O)2)O)=O
M END
