Mol:FLIA1CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1253 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1253 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1244 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1244 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6240 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6240 0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6240 -0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8407 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8407 -0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7681 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4825 1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9825 2.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7681 -0.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4825 -0.4858 0.0000 C 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
8 12 1 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 17 1 0 0 0 0
17 12 2 0 0 0 0
15 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
16 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 23
M SMT 2 OCH3
M SVB 2 23 1.7681 -0.0733
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.4825 1.1446
S SKP 8
ID FLIA1CNS0002
KNApSAcK_ID C00002571
NAME Sayanedine
CAS_RN 30564-92-2
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES COc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cc(OC)c(O)c1
M END
