Mol:FL5FFANS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.4197 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6716 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5377 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1489 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2998 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 1.0072 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
18 19 1 0 0 0 0
8 20 1 0 0 0 0
20 21 1 0 0 0 0
6 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
15 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 2.0624 1.4197
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 -2.2998 -1.0073
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 -1.5853 1.011
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 0.0044 -0.7319
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 -2.7769 0.7355
S SKP 8
ID FL5FFANS0016
KNApSAcK_ID C00004623
NAME Herbacetin pentamethyl ether;3,5,7,8,4'-Pentamethoxyflavone;3,5,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 24027-55-2
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES COc(c3OC)cc(c(c13)C(C(=C(c(c2)ccc(OC)c2)O1)OC)=O)OC
M END
