Mol:FL1C3CGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 51 0 0 0 0 0 0 0 0999 V2000
0.4981 0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4981 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9270 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9270 0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3560 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3560 0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7849 0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4994 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4994 1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7849 1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 -1.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8743 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3963 0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6211 0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8098 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2878 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0630 0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2744 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3099 0.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8673 0.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7316 -0.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 -1.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1699 0.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1806 1.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2394 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7849 2.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9075 1.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8644 1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9075 2.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4413 2.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4509 2.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3308 -1.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9273 -1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1547 -1.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5667 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3906 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8031 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6281 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0406 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6281 -2.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8031 -2.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8644 -1.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0400 -0.3594 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
13 29 1 0 0 0 0
2 30 1 0 0 0 0
14 31 1 0 0 0 0
20 28 1 0 0 0 0
32 23 1 0 0 0 0
29 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 41 1 0 0 0 0
44 47 1 0 0 0 0
43 48 1 0 0 0 0
26 37 1 0 0 0 0
S SKP 8
ID FL1C3CGS0025
KNApSAcK_ID C00014513
NAME Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
CAS_RN 142628-34-0
FORMULA C33H32O15
EXACTMASS 668.174120354
AVERAGEMASS 668.59818
SMILES Oc(c1O)cc(C=CC(=O)OC(C(Oc(c(O)4)ccc(c(O)4)C(C=Cc(c3)ccc(OC)c(O)3)=O)2)C(C(C(COC(C)=O)O2)O)O)cc1
M END
