Mol:FL5FEANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-3.0121 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0121 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4558 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8995 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8995 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4558 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3432 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3432 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3432 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2308 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3362 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3362 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2308 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5689 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4558 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4700 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0356 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6001 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1633 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1633 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7265 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0791 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9451 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6998 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0677 -0.8071 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
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
2 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -3.7265 -0.3996
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -0.5766 -0.6761
S SKP 8
ID FL5FEANI0002
KNApSAcK_ID C00004999
NAME 5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone
CAS_RN 160036-23-7
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES O(C(c(c3)ccc(OCC=C(C)C)c3)=2)c(c1)c(C(C2OC)=O)c(c(OC)c1O)O
M END
