Mol:FL2FF9NS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1101 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5082 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 1.6360 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
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.1362 0.77
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 -0.9447 1.0455
S SKP 8
ID FL2FF9NS0003
KNApSAcK_ID C00008154
NAME 5-Hydroxy-7,8-dimethoxyflavanone
CAS_RN 113981-49-0
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)CC(c(c2)cccc2)1
M END
