Mol:FL5FECGS0058
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 44 0 0 0 0 0 0 0 0999 V2000
4.3890 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6745 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6745 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3890 1.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1034 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1034 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9600 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2456 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5311 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5311 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2456 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9600 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2456 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6123 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6745 -1.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8179 1.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3890 2.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5589 -1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5589 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3794 0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9668 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1684 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3750 -0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7875 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5859 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7429 0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8626 -0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4154 -0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3399 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2684 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6790 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2657 2.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5029 1.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9161 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9135 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8179 2.3391 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
27 34 1 0 0 0 0
28 18 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 1 0 0 0 0
35 31 1 0 0 0 0
40 41 1 0 0 0 0
S SKP 8
ID FL5FECGS0058
KNApSAcK_ID C00013947
NAME Patuletin 7-[6''-(2-methylbutyryl)-glucoside];Quercetagetin 6-methyl ether 7-[6''-(2-methylbutyryl)-glucoside];2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 254886-93-6
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c4O)(O)ccc(c4)C(=C(O)3)Oc(c1)c(C3=O)c(O)c(OC)c1OC(O2)C(C(C(O)C(COC(=O)C(CC)C)2)O)O
M END
