Mol:FL5FFCNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-0.8299 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8299 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2736 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2827 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2827 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2736 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8390 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9514 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0854 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0854 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9514 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2736 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3860 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5400 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0961 -0.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6522 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0961 -0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9409 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0045 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4411 1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2613 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1274 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8018 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2432 2.6397 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
1 20 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
20 25 1 0 0 0 0
25 21 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
8 28 1 0 0 0 0
28 29 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 30 31
M SBL 3 1 32
M SMT 3 OCH3
M SVB 3 32 2.8018 1.7424
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 1.6056 -0.9641
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 0.0045 0.7574
S SKP 8
ID FL5FFCNI0002
KNApSAcK_ID C00005023
NAME 5,4'-Dihydroxy-3,8,3'-trimethoxy-7-prenyloxyflavone
CAS_RN 160036-26-0
FORMULA C23H24O8
EXACTMASS 428.14711774399996
AVERAGEMASS 428.43186000000003
SMILES O=C(c23)C(OC)=C(Oc2c(OC)c(cc(O)3)OCC=C(C)C)c(c1)cc(OC)c(O)c1
M END
