Mol:FLNAA9NI0003
From Metabolomics.JP
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
