Mol:FL5FFCNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-0.8299 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8299 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2736 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2827 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2827 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2736 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9514 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0854 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0854 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9514 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3860 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5400 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0961 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6522 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0961 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9409 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2613 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1273 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0045 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4411 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8018 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2432 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7100 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0045 -1.7079 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
15 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
19 24 1 0 0 0 0
24 20 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
3 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 31 32
M SBL 4 1 33
M SMT 4 OCH3
M SVB 4 33 -0.71 -1.2954
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 2.8018 1.7079
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 0.0045 0.7229
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 1.6056 -0.9987
S SKP 8
ID FL5FFCNI0003
KNApSAcK_ID C00005024
NAME 4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone
CAS_RN 132537-16-7
FORMULA C24H26O8
EXACTMASS 442.162767808
AVERAGEMASS 442.45844
SMILES C(O2)(c(c3)ccc(O)c(OC)3)=C(OC)C(=O)c(c12)c(cc(c1OC)OCC=C(C)C)OC
M END
