Mol:FLII1CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-0.8752 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8752 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3218 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3218 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3848 -0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0818 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3848 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6862 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1935 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4472 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1935 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6862 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4332 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2149 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4828 0.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4602 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7683 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4828 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 2 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
11 16 1 0 0 0 0
4 17 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 1.7683 0.1565
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.4828 0.0779
S SKP 8
ID FLII1CNS0001
KNApSAcK_ID C00002409
NAME Sainfuran
CAS_RN 90664-32-7
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1
M END
