Mol:FL1DHXNS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.4904 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4904 -1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7759 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0614 -1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0614 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7759 0.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3014 -1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3969 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3014 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3969 -0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1130 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8275 -0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5420 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5420 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8275 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1130 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3853 0.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1231 0.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8275 2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1231 1.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0039 -1.3996 0.0000 O 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
7 9 2 0 0 0 0
8 10 1 0 0 0 0
10 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
5 17 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 1 0 0 0
S SKP 8
ID FL1DHXNS0008
KNApSAcK_ID C00014609
NAME 3,4,2',4',alpha-Pentahydroxydihydrochalcone
CAS_RN 222159-58-2
FORMULA C15H14O6
EXACTMASS 290.07903818
AVERAGEMASS 290.26806
SMILES Oc(c2)cc(O)c(c2)C(=O)C(O)Cc(c1)cc(O)c(O)c1
M END
