Mol:FL2F39NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1101 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5082 1.8960 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -0.9447 0.9963
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.1362 0.7209
S SKP 8
ID FL2F39NS0002
KNApSAcK_ID C00008130
NAME 7,8-Dimethoxyflavanone
CAS_RN 73413-67-9
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c3)c(OC)c(O1)c(c3)C(=O)CC(c(c2)cccc2)1
M END
