Mol:FL2F1CNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.8057 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7639 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7639 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8057 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2430 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2779 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2779 -0.3386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2430 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2430 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3326 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3326 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3255 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3255 0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0745 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4609 1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1629 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6629 1.1461 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 16 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -2.1629 0.2801
S SKP 8
ID FL2F1CNI0003
KNApSAcK_ID C00008394
NAME O-Methylovaliflavanone C
CAS_RN 115219-94-8
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES c(c1)c(c(c(O2)c(C(=O)CC(c(c4)cc(O3)c(c4)OC3)2)1)CC=C(C)C)OC
M END
