Mol:FL5FECNS0038
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.2410 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8322 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6742 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6742 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9555 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9474 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0984 1.3134 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
1 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 0.4474
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 -2.9555 -0.7222
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 1.1317
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 1.3907 1.7079
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 -2.1212 -1.2954
S SKP 8
ID FL5FECNS0038
KNApSAcK_ID C00004937
NAME Quercetagetin 5,6,7,3',4'-pentamethyl ether;Marionol;3',4',5,6,7-Pentamethylquercetagetin;2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 65602-55-3
FORMULA C20H20O8
EXACTMASS 388.11581761599996
AVERAGEMASS 388.368
SMILES O(C)c(c21)c(c(OC)cc(OC(c(c3)cc(c(c3)OC)OC)=C(C2=O)O)1)OC
M END
</pre>
