Mol:FL1C1LNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 41 0 0 0 0 0 0 0 0999 V2000
0.0039 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0039 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7184 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4329 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4329 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7184 0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1473 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1473 -1.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8618 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8618 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5763 0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2907 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0052 0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0052 1.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2907 2.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5763 1.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7197 2.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2907 -0.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7184 -1.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7106 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7106 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7106 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4250 -2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4250 -2.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1395 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8540 -2.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5684 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2829 -2.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5684 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2829 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2836 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5632 0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5632 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2803 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0010 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0010 0.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2803 2.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7197 2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7197 2.8930 0.0000 C 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
14 17 1 0 0 0 0
12 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 31 1 0 0 0 0
34 37 1 0 0 0 0
35 38 1 0 0 0 0
38 39 1 0 0 0 0
S SKP 8
ID FL1C1LNI0006
KNApSAcK_ID C00014483
NAME Gemichalcone C;3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-2,4,2',4'-tetrahydroxychalcone
CAS_RN 238750-50-0
FORMULA C30H28O9
EXACTMASS 532.173332494
AVERAGEMASS 532.53792
SMILES c(O)(c(CC=C(C)COC(C=Cc(c3)cc(OC)c(O)c3)=O)2)c(ccc(O)2)C(=O)C=Cc(c1O)ccc(c1)O
M END
