Mol:FL3FQUNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4197 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2487 1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 0.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.6235 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 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
17 19 2 0 0 0 0
14 20 2 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.7769 0.7575
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.4258 0.0103
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 2.0624 1.4418
S SKP 8
ID FL3FQUNS0001
KNApSAcK_ID C00004107
NAME 5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone
CAS_RN -
FORMULA C18H14O8
EXACTMASS 358.068867424
AVERAGEMASS 358.29896
SMILES c(c3=O)(OC)cc(c(c3OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O)=O
M END
