Mol:FL2FFANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0682 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0682 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5119 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9556 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9556 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5119 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3993 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1570 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1570 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.3993 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7131 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2801 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8471 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8471 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2801 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7131 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3993 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4139 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5119 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2338 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7972 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4139 0.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8899 1.6694 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 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
14 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
1 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 -2.4139 0.79
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 -1.2338 1.0455
S SKP 8
ID FL2FFANS0002
KNApSAcK_ID C00008254
NAME 5,4'-Dihydroxy-7,8-dimethoxyflavanone
CAS_RN 75933-06-1
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)CC(c(c2)ccc(O)c2)1
M END
