Mol:FL5FDDNS0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.0624 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8528 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9425 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9198 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8948 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0107 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
15 18 1 0 0 0 0
3 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
8 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 1.5693 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 0.3617 -1.0199
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 -2.4197 0.4474
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 -1.9425 -1.2954
S SKP 8
ID FL5FDDNS0004
KNApSAcK_ID C00004650
NAME Quercetin 3,5,7,3'-tetramethyl ether;3,5,7,3'-Tetramethoxy-4'-hydroxyflavone;2-(4-Hydroxy-3-methoxyphenyl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 33554-60-8
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES O(c12)C(c(c3)cc(OC)c(O)c3)=C(C(c(c(OC)cc(OC)c2)1)=O)OC
M END
</pre>
