Mol:FLID1ANF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.5986 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5986 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0423 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4860 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4860 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0423 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9297 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3734 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3734 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9297 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7775 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3723 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3723 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7775 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9238 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1549 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1549 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 1.5443 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
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
1 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
S SKP 8
ID FLID1ANF0002
KNApSAcK_ID C00009640
NAME Sophorapterocarpan A;Homoedudiol;3,9-Dihydroxy-8-prenylpterocarpan
CAS_RN 77369-92-7
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES C(C23)(COc(c4)c3ccc(O)4)c(c(O2)1)cc(c(O)c1)CC=C(C)C
M END
