Mol:FLICWXNS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1736 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1736 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0610 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0610 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5047 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0516 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0516 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5047 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6077 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6077 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7488 1.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6633 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5294 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3392 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 2.4812 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 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 2 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 11 1 0 0 0 0
16 17 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
6 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 -1.3392 1.5816
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 2.0343 -1.1691
S SKP 8
ID FLICWXNS0009
KNApSAcK_ID C00010038
NAME 7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene
CAS_RN 124901-96-8
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)cc(O)c(c3)C(C2)=Cc(c1)c(O2)c(OC)c(O)c1
M END
