Mol:FLNAA9NI0005
From Metabolomics.JP
(Difference between revisions)
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| − | 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 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7200 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7200 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7200 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7200 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -0.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -0.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3924 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7438 -1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7438 -1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7438 -2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7438 -2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8497 -2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8497 -2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8497 -1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8497 -1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4498 0.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4498 0.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 -1.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 -1.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5043 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5043 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9771 -0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9771 -0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4498 -0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4498 -0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9771 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9771 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7188 1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7188 1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3910 1.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3910 1.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7188 2.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7188 2.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2726 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2726 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1651 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1651 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 0.6696 0.0000 O 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 9 1 0 0 0 0 | + | 20 9 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 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 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NI0005 | + | ID FLNAA9NI0005 |
| − | KNApSAcK_ID C00010228 | + | KNApSAcK_ID C00010228 |
| − | NAME 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin;Mammea A/BA | + | NAME 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin;Mammea A/BA |
| − | CAS_RN 5224-54-4 | + | CAS_RN 5224-54-4 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES c(c21)(C(c(c3)cccc3)=CC(=O)O2)c(c(CC=C(C)C)c(O)c1C(=O)CC(C)C)O | + | SMILES c(c21)(C(c(c3)cccc3)=CC(=O)O2)c(c(CC=C(C)C)c(O)c1C(=O)CC(C)C)O |
M END | M END | ||
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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 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -0.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4498 0.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -1.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9771 -0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4498 -0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9771 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7188 1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3910 1.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7188 2.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2726 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 0.6696 0.0000 O 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
19 20 1 0 0 0 0
20 9 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
1 30 1 0 0 0 0
S SKP 8
ID FLNAA9NI0005
KNApSAcK_ID C00010228
NAME 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin;Mammea A/BA
CAS_RN 5224-54-4
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES c(c21)(C(c(c3)cccc3)=CC(=O)O2)c(c(CC=C(C)C)c(O)c1C(=O)CC(C)C)O
M END
