Mol:FL1CPTNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8662 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8662 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 0.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3122 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2046 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 -0.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2046 0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 -1.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3122 -1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 1.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 0.1334 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
18 21 1 0 0 0 0
17 22 1 0 0 0 0
S SKP 8
ID FL1CPTNS0002
KNApSAcK_ID C00007180
NAME Mopachalcone
CAS_RN 38279-57-1
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c3)cc(O)c(c3)C(=O)C(O2)=Cc(c1)c(C2)c(O)c(O)c1
M END
