Mol:FL5FECNS0034
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.8838 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0315 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2074 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0734 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7410 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1893 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5902 -0.5952 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
8 19 1 0 0 0 0
19 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
1 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
2 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 27 28
M SBL 5 1 29
M SMT 5 OCH3
M SVB 5 29 -2.5983 -0.7222
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 1.7479 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 -2.241 0.4474
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 -1.7639 -1.2954
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 0.5403 -1.0199
S SKP 8
ID FL5FECNS0034
KNApSAcK_ID C00004710
NAME Quercetagetin 3,5,6,7,3'-pentamethyl ether;4'-Hydroxy-3,5,6,7,3'-pentamethoxyflavone;2-(4-Hydroxy-3-methoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN 910-43-0
FORMULA C20H20O8
EXACTMASS 388.11581761599996
AVERAGEMASS 388.368
SMILES O(C)c(c21)c(c(OC)cc(OC(c(c3)cc(c(O)c3)OC)=C(C2=O)OC)1)OC
M END
</pre>
