Mol:FLIDWXNS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 25 0 0 0 0 0 0 0 0999 V2000
-2.2042 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6479 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0916 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0916 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6479 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5353 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0210 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0210 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5353 1.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5771 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5771 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7666 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7666 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5336 -0.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8235 1.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4198 -1.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8235 -0.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4198 0.0669 0.0000 O 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 2 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 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 1 0 0 0 0
12 17 1 0 0 0 0
18 1 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
S SKP 8
ID FLIDWXNS0011
KNApSAcK_ID C00010028
NAME 3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene
CAS_RN 59901-98-3
FORMULA C16H10O5
EXACTMASS 282.05282343
AVERAGEMASS 282.2476
SMILES Oc(c5)cc(O4)c(c5)c(o1)c(C4)c(c2)c(cc(O3)c(OC3)2)1
M END
