Mol:FL5FA8NS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.7790 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6591 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3122 -1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1783 -1.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8527 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6451 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1451 2.4315 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
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
17 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 26 27
M SBL 5 1 28
M SMT 5 OCH3
M SVB 5 28 0.6451 1.5655
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 1.1382 -0.1989
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 0.6451 -0.8776
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -1.6591 -1.153
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.1362 0.5898
S SKP 8
ID FL5FA8NS0007
KNApSAcK_ID C00004630
NAME 3,5,7,2',6'-Pentamethoxyflavone
CAS_RN -
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES COc(c1)c(C(O2)=C(C(c(c3OC)c2cc(c3)OC)=O)OC)c(cc1)OC
M END
