Mol:FLIDECNS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
-2.1566 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4819 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7129 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8711 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 -0.1272 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
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
3 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 27
M SMT 1 ^OCH3
M SBV 1 27 -6.8064 4.5989
S SKP 8
ID FLIDECNS0001
KNApSAcK_ID C00009632
NAME Trifolian;1,3-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan
CAS_RN 73520-83-9
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c(O)5)c(O)c(c4c5)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1
M END
</pre>
