Mol:FL5FDENS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6716 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5376 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2998 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.6800 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
16 18 1 0 0 0 0
8 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 2.0624 1.0925
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -2.2998 -1.3346
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.7769 0.4082
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 0.0044 -1.0591
S SKP 8
ID FL5FDENS0003
KNApSAcK_ID C00004651
NAME Quercetin 3,5,7,4'-tetramethyl ether
CAS_RN 1832-98-0
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES O(c12)C(c(c3)cc(O)c(OC)c3)=C(C(c(c(OC)cc(OC)c2)1)=O)OC
M END
