Mol:FL1DECNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.1824 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1824 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6284 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0743 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0743 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6284 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5206 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0319 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5832 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1334 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6717 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6717 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1334 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5206 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6284 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7908 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1668 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7908 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8014 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1668 0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8014 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3515 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9160 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6578 1.3533 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 13 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -0.5206 0.6731
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.3515 1.2456
S SKP 8
ID FL1DECNF0001
KNApSAcK_ID C00007962
NAME 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon
CAS_RN 77985-80-9
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES c(c34)cc(cc3OCO4)CCC(=O)c(c1O)c(c(c(o2)c(cc2)1)OC)OC
M END
