Mol:FLICWXNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.1831 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -0.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.4709 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 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
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 2.0247 -0.6772
S SKP 8
ID FLICWXNS0003
KNApSAcK_ID C00009750
NAME Sepiol;7,2',3'-Trihydroxy-4'-methoxyisoflavene
CAS_RN 60434-16-4
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)c(O)c(O)c(c3)C(C1)=Cc(c2)c(cc(O)c2)O1
M END
