Mol:FL1DA9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-2.0176 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0176 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3559 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1966 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7480 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2981 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8365 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3749 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3749 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8365 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2981 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3559 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3559 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3749 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8750 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
5 18 1 0 0 0 0
1 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 20
M SMT 1 OCH3
M SVB 1 20 -2.3749 1.1088
S SKP 8
ID FL1DA9NS0002
KNApSAcK_ID C00007929
NAME 2',6'-Dihydroxy-4'-methoxydihydrochalcone
CAS_RN 35241-55-5
FORMULA C16H16O4
EXACTMASS 272.104859
AVERAGEMASS 272.29584
SMILES COc(c1)cc(O)c(C(=O)CCc(c2)cccc2)c(O)1
M END
