Mol:FL5FFCNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-1.1871 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1871 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6308 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0745 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0745 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6308 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4818 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0381 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0381 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4818 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4818 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5942 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1612 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1612 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5942 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8972 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4533 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0094 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4533 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2981 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0672 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3528 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9041 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7701 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7281 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3528 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0837 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4446 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8860 2.6052 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
1 18 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
18 23 1 0 0 0 0
23 19 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
16 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 32 33
M SBL 5 1 34
M SMT 5 OCH3
M SVB 5 34 2.4446 1.7079
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 30 31
M SBL 4 1 32
M SMT 4 OCH3
M SVB 4 32 -0.3528 0.7229
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 30
M SMT 3 OCH3
M SVB 3 30 3.295 1.1317
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 1.2484 -0.9987
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -1.0672 -1.2954
S SKP 8
ID FL5FFCNI0004
KNApSAcK_ID C00005025
NAME 3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone
CAS_RN 114371-87-8
FORMULA C25H28O8
EXACTMASS 456.17841787199995
AVERAGEMASS 456.48502
SMILES O(c(c(OC)1)ccc(C(O3)=C(OC)C(=O)c(c23)c(cc(c2OC)OCC=C(C)C)OC)c1)C
M END
