Mol:FL1CRTNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
-2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.4750 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
3 7 1 0 0 0 0
2 8 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 0 0 0 0
9 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL1CRTNI0004
KNApSAcK_ID C00014487
NAME Licoagrochalcone C;3-Prenyl-4,3',4'-trihydroxy-2-methoxychalcone
CAS_RN 325144-68-1
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES c(OC)(c(C=CC(=O)c(c2)ccc(c2O)O)1)c(c(O)cc1)CC=C(C)C
M END
