Mol:FL2F39NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.6796 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0107 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4086 1.8959 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -0.8452 0.9963
S SKP 8
ID FL2F39NS0001
KNApSAcK_ID C00008128
NAME 7-Hydroxy-8-methoxyflavanone
CAS_RN 57361-85-0
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c(O)3)c(O1)c(cc3)C(=O)CC(c(c2)cccc2)1
M END
