Mol:FLNAA9NI0004
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 |
| − | -0.6287 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6287 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4837 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4837 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4837 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4837 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6287 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6287 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5075 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5075 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5075 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5075 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6133 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6133 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6133 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6133 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2135 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2135 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6287 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6287 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 -1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 -1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 0.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 0.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7407 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7407 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2135 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2135 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6287 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6287 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0726 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0726 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7408 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7408 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 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NI0004 | + | ID FLNAA9NI0004 |
| − | KNApSAcK_ID C00010220 | + | KNApSAcK_ID C00010220 |
| − | NAME Mesuol;5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-isobutyryl-4-phenylcoumarin | + | NAME Mesuol;5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-isobutyryl-4-phenylcoumarin |
| − | CAS_RN 16981-20-7 | + | CAS_RN 16981-20-7 |
| − | FORMULA C24H24O5 | + | FORMULA C24H24O5 |
| − | EXACTMASS 392.162373878 | + | EXACTMASS 392.162373878 |
| − | AVERAGEMASS 392.44436 | + | AVERAGEMASS 392.44436 |
| − | SMILES O=C(O3)C=C(c(c32)c(c(C(=O)C(C)C)c(O)c(CC=C(C)C)2)O)c(c1)cccc1 | + | SMILES O=C(O3)C=C(c(c32)c(c(C(=O)C(C)C)c(O)c(CC=C(C)C)2)O)c(c1)cccc1 |
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
-0.6287 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4837 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4837 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6287 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6133 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6133 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2135 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6287 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 -1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 0.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7407 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2135 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6287 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0726 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7408 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
22 29 1 0 0 0 0
S SKP 8
ID FLNAA9NI0004
KNApSAcK_ID C00010220
NAME Mesuol;5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-isobutyryl-4-phenylcoumarin
CAS_RN 16981-20-7
FORMULA C24H24O5
EXACTMASS 392.162373878
AVERAGEMASS 392.44436
SMILES O=C(O3)C=C(c(c32)c(c(C(=O)C(C)C)c(O)c(CC=C(C)C)2)O)c(c1)cccc1
M END
