Mol:FL5FDANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.9630 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9943 -1.5255 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
15 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
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 0.4611 -0.7319
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 -1.8431 -1.0073
S SKP 8
ID FL5FDANS0002
KNApSAcK_ID C00004568
NAME Kaempferol 3,5-dimethyl ether;7,4'-Dihydroxy-3,5-dimethoxyflavone;7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 1486-65-3
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)ccc(O)c2)=C(OC)1
M END
