Mol:FLID3ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 23 0 0 0 0 0 0 0 0999 V2000
-2.0044 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 -1.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 1.4785 0.0000 O 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
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
6 20 1 0 0 0 0
S SKP 8
ID FLID3ANS0002
KNApSAcK_ID C00009612
NAME 4-Hydroxydemethylmedicarpin;3,4,9-Trihydroxypterocarpan
CAS_RN 61255-58-1
FORMULA C15H12O5
EXACTMASS 272.068473494
AVERAGEMASS 272.25278000000003
SMILES Oc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)c(O)c(O)c2
M END
