Mol:FL2F19NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 21 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
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
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 FL2F19NS0002
KNApSAcK_ID C00008127
NAME 7-Methoxyflavanone
CAS_RN 72984-48-6
FORMULA C16H14O3
EXACTMASS 254.094294314
AVERAGEMASS 254.28056
SMILES COc(c3)cc(O1)c(c3)C(=O)CC1c(c2)cccc2
M END
