Mol:FL1C19NP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.0457 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0457 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7356 -0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8527 -0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4137 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4137 0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8527 0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 -1.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3027 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8588 -0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4137 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8588 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6018 0.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0455 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6016 1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9162 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1741 0.8588 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
17 3 1 0 0 0 0
18 19 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
2 19 1 0 0 0 0
1 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 23 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
S SKP 8
ID FL1C19NP0004
KNApSAcK_ID C00007055
NAME Spinochalcone C
CAS_RN 146959-79-7
FORMULA C25H26O3
EXACTMASS 374.18819469799996
AVERAGEMASS 374.47213999999997
SMILES CC(C)(O1)C=Cc(c2)c1c(c(O)c2C(=O)C=Cc(c3)cccc3)CC=C(C)C
M END
