Mol:FLIBALNP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.5120 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5120 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3993 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3993 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1570 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7133 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7133 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1570 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4589 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4589 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1570 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0485 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0681 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5117 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5117 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0678 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6246 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6246 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0683 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6246 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0485 -0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
3 26 1 0 0 0 0
19 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 2 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
S SKP 8
ID FLIBALNP0007
KNApSAcK_ID C00009971
NAME 2,3-Dihydroauriculatin;5,2',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavanone
CAS_RN 105594-10-3
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OCC(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C
M END
