Mol:FL1C3CGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 50 0 0 0 0 0 0 0 0999 V2000
0.7575 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7575 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1864 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1864 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9009 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6154 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6154 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3299 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7588 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7588 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 1.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3299 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9009 -1.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6149 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1368 0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3617 0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5504 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0284 0.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8036 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0150 1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0505 0.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6079 0.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4722 -0.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 -1.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0895 0.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 1.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4400 1.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 -0.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 2.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 2.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0650 2.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1491 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9064 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4652 -1.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7303 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1423 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9661 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3786 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2036 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6161 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2036 -2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3786 -2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4400 -1.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6156 -0.3924 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
17 18 1 1 0 0 0
18 19 1 1 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
18 25 1 0 0 0 0
19 26 1 0 0 0 0
3 27 1 0 0 0 0
1 28 1 0 0 0 0
29 23 1 0 0 0 0
13 30 1 0 0 0 0
2 31 1 0 0 0 0
14 32 1 0 0 0 0
20 28 1 0 0 0 0
29 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
36 37 2 0 0 0 0
36 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 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 40 1 0 0 0 0
43 46 1 0 0 0 0
42 47 1 0 0 0 0
26 36 1 0 0 0 0
S SKP 8
ID FL1C3CGS0022
KNApSAcK_ID C00014510
NAME Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
CAS_RN 142628-30-6
FORMULA C32H30O15
EXACTMASS 654.15847029
AVERAGEMASS 654.5716
SMILES c(c3O)(c(ccc(C(C=Cc(c4)cc(O)c(O)c4)=O)3)OC(C(OC(=O)C=Cc(c2)ccc(c(O)2)O)1)OC(C(O)C1O)COC(C)=O)O
M END
