Mol:FL5FE9NS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-0.6964 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3363 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6078 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2394 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5994 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3279 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5109 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5024 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2310 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0098 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1342 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4108 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0354 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6168 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8936 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5180 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 -3.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2475 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1112 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1829 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 -0.8071 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
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.3149 -0.3996
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 -1.9576 0.77
S SKP 8
ID FL5FE9NS0007
KNApSAcK_ID C00004548
NAME 3,5-Dihydroxy-6,7-dimethoxyflavone
CAS_RN 122006-31-9
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c1)c(OC)c(O)c(C(=O)2)c1OC(c(c3)cccc3)=C(O)2
M END
