Mol:FL1C3AGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
1.3472 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3472 -0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0617 -1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7762 -0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7762 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0617 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4906 -1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2051 -0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2051 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9196 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6341 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3485 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3485 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6341 1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9196 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4906 -2.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0371 1.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9762 0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4983 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7231 -0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0882 -0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3896 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1649 0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3761 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8799 0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4119 -0.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9693 -0.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8338 -0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0617 -2.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6605 0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6473 -1.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4943 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0728 2.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3181 1.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7396 0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5634 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9662 1.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7912 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2133 0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8104 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9855 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0371 0.7970 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 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
13 17 1 0 0 0 0
18 19 1 1 0 0 0
19 20 1 1 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
2 31 1 0 0 0 0
30 21 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
25 32 1 0 0 0 0
S SKP 8
ID FL1C3AGS0002
KNApSAcK_ID C00014500
NAME 4,2',3',4'-Tetrahydroxychalcone 4'-O-(6''-O-p-coumaroyl)glucoside
CAS_RN 186145-46-0
FORMULA C30H28O12
EXACTMASS 580.15807636
AVERAGEMASS 580.53612
SMILES C(O)(C3O)C(C(OC(COC(C=Cc(c4)ccc(O)c4)=O)3)Oc(c1)c(O)c(c(C(C=Cc(c2)ccc(c2)O)=O)c1)O)O
M END
