Mol:FL1C19NP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
3.2874 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2874 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8437 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4000 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4000 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8437 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1542 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7105 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5981 -0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5981 -1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4845 0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0681 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0681 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4845 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4845 -1.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 0.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8196 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4650 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1104 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7558 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4000 0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7558 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 1.0487 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
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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 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
19 28 1 0 0 0 0
S SKP 8
ID FL1C19NP0005
KNApSAcK_ID C00007121
NAME Spinochalcone B
CAS_RN 145039-93-6
FORMULA C25H26O3
EXACTMASS 374.18819469799996
AVERAGEMASS 374.47213999999997
SMILES C(C(c(c3)c(c(c(c3)2)C=CC(CCC=C(C)C)(O2)C)O)=O)=Cc(c1)cccc1
M END
