Mol:FLNAA9NP0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.3924 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 1.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4498 1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9771 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4498 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 0.5590 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 2 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 1 0 0 0 0
26 21 1 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 FLNAA9NP0008
KNApSAcK_ID C00010222
NAME 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin;MAB5
CAS_RN 30390-18-2
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(C(C(C)CC)=O)(c(O)4)c(c1c(c24)OC(=O)C=C2c(c3)cccc3)OC(C=C1)(C)C
M END
