Mol:FL5FFAGS0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
1.4480 4.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4480 3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1625 2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8769 3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8769 4.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1625 4.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7335 2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0191 3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6954 2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6954 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0191 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7335 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4099 3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1243 2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1243 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4099 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0191 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8388 3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4041 1.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4777 4.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4099 0.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4099 3.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4777 2.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2733 -0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8284 0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1132 0.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0976 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4565 0.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4494 -0.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0762 -0.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2002 -0.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2160 -1.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 -1.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5030 -2.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5040 -2.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2090 -3.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9240 -2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6380 -3.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6370 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9220 -4.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2081 -4.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3500 -4.4880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4280 -3.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0565 -3.4033 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
13 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
37 38 2 0 0 0 0
38 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 39 1 0 0 0 0
42 45 1 0 0 0 0
41 46 1 0 0 0 0
46 47 1 0 0 0 0
34 35 1 0 0 0 0
27 19 1 0 0 0 0
S SKP 8
ID FL5FFAGS0028
KNApSAcK_ID C00013831
NAME Herbacetin 7-methyl ether 3-(2''-(E)-feruloylglucoside);5,8-Dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 190328-85-9
FORMULA C32H30O15
EXACTMASS 654.15847029
AVERAGEMASS 654.5716
SMILES OC(C2O)C(C(OC(=C(c(c5)ccc(O)c5)3)C(c(c4O)c(c(c(OC)c4)O)O3)=O)OC(CO)2)OC(=O)C=Cc(c1)cc(OC)c(O)c1
M END
