Mol:FL1C19NI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-1.6706 0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6706 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1143 -0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1143 1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 -0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5546 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1107 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6668 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2278 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7888 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7888 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2278 1.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6668 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 -0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 1.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1143 -0.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7888 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7888 -1.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5512 0.3519 0.0000 C 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
2 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
19 23 1 0 0 0 0
S SKP 8
ID FL1C19NI0002
KNApSAcK_ID C00007046
NAME 2',4'-Dihydroxy-3'-(1,1-dimethyl-2-propenyl)chalcone
CAS_RN 57621-12-2
FORMULA C20H20O3
EXACTMASS 308.141244506
AVERAGEMASS 308.371
SMILES C=CC(C)(C)c(c1O)c(ccc1C(=O)C=Cc(c2)cccc2)O
M END
