Mol:FL3F98NS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.9576 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -1.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9596 -0.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6741 -0.5018 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
3 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
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 SBV 1 21 -4.8389 2.5983
S SKP 8
ID FL3F98NS0003
KNApSAcK_ID C00003797
NAME 5-Hydroxy-2'-methoxyflavone
CAS_RN 6665-71-0
FORMULA C16H12O4
EXACTMASS 268.073558872
AVERAGEMASS 268.26408
SMILES COc(c3)c(ccc3)C(=C1)Oc(c2)c(c(O)cc2)C(=O)1
M END
