Mol:FLID1CNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.1830 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.1647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0422 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4902 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7879 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7879 -0.5220 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
13 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.0248 -0.7282
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 0.7757 -1.0369
S SKP 8
ID FLID1CNS0005
KNApSAcK_ID C00009617
NAME Methylnissolin;3-Hydroxy-9,10-dimethoxypterocarpan
CAS_RN 73340-41-7
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)c(OC)c(O1)c(c4)C(C2)C1c(c3)c(cc(O)c3)O2
M END
