Mol:FL1CPTNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8662 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8662 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 -1.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3122 -1.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2046 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 -1.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2046 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 0.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 -1.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3122 -1.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 1.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 1.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 1.0770 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
8 9 1 0 0 0 0
9 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 8 2 0 0 0 0
1 14 1 0 0 0 0
3 15 1 0 0 0 0
7 16 2 0 0 0 0
11 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 12 1 0 0 0 0
19 21 1 0 0 0 0
18 22 1 0 0 0 0
S SKP 8
ID FL1CPTNS0001
KNApSAcK_ID C00007179
NAME Peltochalcone
CAS_RN 53766-30-6
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c3)cc(O)c(c3)C(=O)C(O2)=Cc(c1)c(C2)cc(O)c(O)1
M END
