Mol:FL3FECNS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.0463 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0463 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5458 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5458 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5449 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0445 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0445 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5449 0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4557 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5164 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5164 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4557 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5449 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7607 -0.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7460 -0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3824 -0.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2485 -0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0463 1.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 0.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5457 -1.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5457 -2.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9034 1.6032 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 26 27
M SBL 5 1 28
M SMT 5 OCH3
M SVB 5 28 -2.4035 0.7371
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 -2.0102 -0.8929
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 2.0463 1.3254
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 1.689 0.2008
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.7607 -0.3358
S SKP 8
ID FL3FECNS0024
KNApSAcK_ID C00013596
NAME Sinensetin;5,6,7,3',4'-Pentamethoxyflavone;Pedalitin permethyl ether;2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 2306-27-6
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES c(C(=O)1)(c3OC)c(cc(c3OC)OC)OC(c(c2)cc(c(c2)OC)OC)=C1
M END
