Mol:FL3FA9NC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.9106 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9106 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2020 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2020 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3146 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3146 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 0.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8707 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0046 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0046 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8707 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4667 -0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9797 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9797 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4667 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1292 -1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0046 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7907 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 -0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2679 1.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7679 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4381 -1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7236 -1.8576 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
2 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 2 0 0 0 0
21 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 30 31
M SBL 3 1 33
M SMT 3 OCH3
M SVB 3 33 -2.4381 -1.4451
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 -1.2679 1.1733
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -0.7907 -0.5695
S SKP 8
ID FL3FA9NC0001
KNApSAcK_ID C00004054
NAME 5-O-Methylhoslundin;5,7-Dimethoxy-6-(5-methoxy-6-methyl-4-oxo-4H-pyran-3-yl)-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 135404-71-6
FORMULA C24H20O7
EXACTMASS 420.120902994
AVERAGEMASS 420.41139999999996
SMILES O(c24)C(=CC(c(c(c(c(c4)OC)C(C(=O)3)=COC(C)=C3OC)OC)2)=O)c(c1)cccc1
M END
