Mol:FL4DACNR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.7481 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2272 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7063 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7063 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2272 0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7481 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3354 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3354 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 0.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 -1.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2272 -1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4414 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9634 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9634 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4414 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4853 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4414 1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8715 -1.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1376 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5467 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1464 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4853 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3080 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4469 1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
20 17 1 0 0 0 0
8 21 1 1 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 6 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL4DACNR0001
KNApSAcK_ID C00008637
NAME 7,8-Dihydrooxepinodihydroquercetin
CAS_RN 104668-90-8
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES CC(C4)=CCc(c12)c(O4)cc(c1C(C(O)C(c(c3)cc(c(O)c3)O)O2)=O)O
M END
