Mol:FL2FAANP0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.8623 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8438 -1.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4118 -1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3432 -2.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0170 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0077 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3239 -0.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7222 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4156 -0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1356 -0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1291 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4258 0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7078 0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3432 -2.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8394 0.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 -2.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4258 1.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7823 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7823 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 2.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2151 2.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5677 -0.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2546 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2360 -1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5306 -2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7383 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8394 -1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
9 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
18 14 1 0 0 0 0
3 19 1 0 0 0 0
15 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
1 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 2 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
S SKP 8
ID FL2FAANP0011
KNApSAcK_ID C00014235
NAME Paratocarpin I;5,4'-Dihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 170662-23-4
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES c(c34)(OC(C=C4)(C)C)cc(c(c3O)2)OC(CC(=O)2)c(c1)cc(c(c1)O)CC=C(C)C
M END
