Mol:FL1CHXNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 0.6379 0.0000 O 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 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
1 17 1 0 0 0 0
3 18 1 0 0 0 0
13 19 1 0 0 0 0
12 20 1 0 0 0 0
8 21 1 0 0 0 0
S SKP 8
ID FL1CHXNS0001
KNApSAcK_ID C00006978
NAME 3,4,2',4',alpha-Pentahydroxychalcone
CAS_RN 38681-20-8
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c2)cc(O)c(c2)C(=O)C(O)=Cc(c1)cc(O)c(O)c1
M END
