Mol:FL1CA9NI0007
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
29 30 0 0 0 0 0 0 0 0999 V2000
3.3239 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3239 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4365 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4365 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1907 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7470 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6346 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0737 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6346 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0737 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5210 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0316 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0316 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5210 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5210 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1369 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5842 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6894 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6894 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2407 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7909 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3398 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8888 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8888 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4365 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5841 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6262 0.9657 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
18 19 1 0 0 0 0
19 15 1 0 0 0 0
18 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
14 28 1 0 0 0 0
12 29 1 0 0 0 0
S SKP 8
ID FL1CA9NI0007
KNApSAcK_ID C00007128
NAME 3'-Geranyl-2',4',6'-trihydroxychalcone
CAS_RN 73436-02-9
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES Oc(c1)c(C(C=Cc(c2)cccc2)=O)c(O)c(CC=C(C)CCC=C(C)C)c(O)1
M END
</pre>
