Mol:FLICWXNS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.3522 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3522 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7959 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7959 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1270 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1270 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 1.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4291 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4291 -0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0239 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 -0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0239 0.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0239 1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9274 1.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 -1.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3508 -1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2129 0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9274 -0.0644 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
15 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 2.2129 0.3481
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 1.8557 -0.888
S SKP 8
ID FLICWXNS0008
KNApSAcK_ID C00010037
NAME Odoriflavene;7,2'-Dihydroxy-3',4'-dimethoxyisoflav-3-ene
CAS_RN 101153-41-7
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)c(OC)c(O)c(c3)C(C1)=Cc(c2)c(cc(O)c2)O1
M END
