Mol:FL5F9CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.5983 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0420 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4857 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4857 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0420 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9294 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3731 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3731 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9294 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9294 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3170 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3170 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8838 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 0.9711 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
15 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 -7.5961 8.3279
S SKP 8
ID FL5F9CNS0001
KNApSAcK_ID C00004532
NAME 3-Hydroxy-4'-methoxyflavone
CAS_RN 6889-78-7
FORMULA C16H12O4
EXACTMASS 268.073558872
AVERAGEMASS 268.26408
SMILES COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c2)c(ccc2)1
M END
