Mol:FL3FF9NS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 1.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.6363 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
18 3 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.1362 0.7702
S SKP 8
ID FL3FF9NS0007
KNApSAcK_ID C00004070
NAME 5,8-Dihydroxy-7-methoxyflavone
CAS_RN 4431-47-4
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C=C(c(c2)cccc2)1
M END
