Mol:FL1DDANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.1793 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1793 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4648 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4648 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0096 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0096 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4240 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8530 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8530 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4240 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1591 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8533 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4985 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4648 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0941 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4985 1.9092 0.0000 O 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 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 11 1 0 0 0 0
5 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
S SKP 8
ID FL1DDANS0001
KNApSAcK_ID C00014600
NAME Dihydroflavokawain C;4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone
CAS_RN 42546-55-4
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c1)cc(OC)c(C(=O)CCc(c2)ccc(O)c2)c(O)1
M END
