Mol:FL1C3CNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 1.8562 0.0000 C 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 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 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
15 18 1 0 0 0 0
18 19 1 0 0 0 0
14 20 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
S SKP 8
ID FL1C3CNS0004
KNApSAcK_ID C00014429
NAME 2',4',4-Trihydroxy-3',3-methoxychalcone
CAS_RN 207906-25-0
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c1)c(O)ccc(C=CC(=O)c(c2)c(O)c(OC)c(O)c2)1
M END
