Mol:FL5FECGS0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
1.5128 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5128 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0838 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6306 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3451 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3451 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6306 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0838 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0596 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7740 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7740 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0596 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6306 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4885 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0596 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9417 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5128 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4351 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1519 -0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4015 -1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2236 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5106 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1519 -0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3298 0.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0426 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4729 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9705 -0.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5198 -1.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7539 -1.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9362 -1.0412 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
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
18 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
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 21 1 0 0 0 0
S SKP 8
ID FL5FECGS0061
KNApSAcK_ID C00013950
NAME Quercetagetin 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3,5,6-trihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 235741-63-6
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES OC(C4O)C(OC(CO)C4O)Oc(c3O)ccc(c3)C(=C(O)1)Oc(c2)c(c(O)c(c2OC)O)C1=O
M END
