Mol:FL1C1ANP0019
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-4.2471 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2471 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5327 -1.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8182 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8182 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5327 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 -1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3892 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3892 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8739 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6495 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7852 -1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6524 0.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0694 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6524 1.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7314 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4027 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4027 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1172 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1172 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5461 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2606 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2606 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5461 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8739 -0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 -1.1946 0.0000 C 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 2 0 0 0 0
5 6 1 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
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
8 13 1 0 0 0 0
9 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
15 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 18 1 0 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
25 29 1 0 0 0 0
S SKP 8
ID FL1C1ANP0019
KNApSAcK_ID C00014467
NAME Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone
CAS_RN 216753-67-2
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES c(O1)(c4)c(cc(c(O)4)C(=O)C=Cc(c2)ccc(O3)c2CCC3(C)C)CCC(C)(C)1
M END
</pre>
