Mol:FL5FDFNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6370 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5950 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7529 2.6052 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
8 19 1 0 0 0 0
19 20 1 0 0 0 0
15 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
16 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 1.3115 1.7079
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 -2.2003 -1.2954
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 2.1618 1.1317
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 0.1038 -1.0199
S SKP 8
ID FL5FDFNS0002
KNApSAcK_ID C00004652
NAME Quercetin 3,5,3',4'-tetramethyl ether
CAS_RN 33554-59-5
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES O(c12)C(c(c3)cc(OC)c(OC)c3)=C(C(c(c(OC)cc(O)c2)1)=O)OC
M END
