Mol:FL2FALNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.4813 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4813 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7668 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0524 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0524 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7668 -0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 -0.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1351 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 -0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5640 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5640 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1351 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 -2.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7668 -2.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1424 -0.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 -1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 2.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7890 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4872 2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1935 1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7890 0.8183 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
4 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 5 1 0 0 0 0
9 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
12 20 1 0 0 0 0
15 21 1 0 0 0 0
19 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
S SKP 8
ID FL2FALNS0007
KNApSAcK_ID C00014134
NAME 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone
CAS_RN 625111-93-5
FORMULA C18H18O7
EXACTMASS 346.10525293
AVERAGEMASS 346.33132
SMILES c(OC)(c1)c(OC)cc(c(C(O2)CC(c(c(O)3)c2cc(OC)c3)=O)1)O
M END
