Mol:FLIE1CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 26 0 0 0 0 0 0 0 0999 V2000
-2.2357 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7352 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7352 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7920 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7920 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 0.0850 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 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 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
9 19 2 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 15 1 0 0 0 0
S SKP 8
ID FLIE1CNS0001
KNApSAcK_ID C00009760
NAME Medicagol;3-Hydroxy-8,9-methylenedioxycoumestan;7-Hydroxy-11,12-methylenedioxycoumestan
CAS_RN 1983-72-8
FORMULA C16H8O6
EXACTMASS 296.032087988
AVERAGEMASS 296.23112000000003
SMILES Oc(c5)cc(O4)c(c5)c(o1)c(C(=O)4)c(c2)c(cc(O3)c(OC3)2)1
M END
