Mol:FL1C19NI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 29 0 0 0 0 0 0 0 0999 V2000
-1.0457 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0457 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7356 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8527 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4137 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4137 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8527 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3027 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8588 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4137 -0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8588 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6018 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0455 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0455 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6016 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 1.9267 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 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
S SKP 8
ID FL1C19NI0004
KNApSAcK_ID C00007054
NAME Spinochalcone A
CAS_RN 52601-08-8
FORMULA C25H28O3
EXACTMASS 376.203844762
AVERAGEMASS 376.48802
SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(C=Cc(c2)cccc2)=O)O
M END
