Mol:FL1CA9NF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.2004 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2004 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7714 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7714 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0569 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0569 -1.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6575 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3720 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0865 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8009 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5154 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5154 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8009 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0865 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1234 0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9122 0.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2128 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2128 2.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5903 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7628 2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8134 -1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4779 -1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6574 -1.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7968 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5154 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4717 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1133 -2.9766 0.0000 O 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
1 18 1 0 0 0 0
6 19 1 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
21 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 3 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL1CA9NF0002
KNApSAcK_ID C00014442
NAME Cedrediprenone;2',4'-Dihydroxy-3'-prenyl-5''-(2-hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':6',5']chalcone
CAS_RN 554408-33-2
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES Oc(c(CC=C(C)C)2)c(C(=O)C=Cc(c3)cccc3)c(O1)c(c2O)CC1C(C)(C)O
M END
