Mol:FL1DUNNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-0.5257 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0613 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4019 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3283 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7915 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2548 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2548 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7915 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3283 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0613 -1.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5257 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5741 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4099 1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0249 0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2548 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1293 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 -1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
2 11 2 0 0 0 0
1 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 1 1 0 0 0 0
13 16 2 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
14 19 1 0 0 0 0
15 20 2 0 0 0 0
S SKP 8
ID FL1DUNNM0001
KNApSAcK_ID C00007978
NAME 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
CAS_RN 34328-56-8
FORMULA C17H18O3
EXACTMASS 270.12559444199997
AVERAGEMASS 270.32302
SMILES c(c2)ccc(c2)CCC(=O)C(=C(C)1)C(=O)C(C)(C)C(=O)1
M END
