Mol:FL5FECGSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
2.4029 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4029 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4550 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4550 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1695 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8839 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8839 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1695 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5984 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1695 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8318 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4029 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5450 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2464 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3121 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2839 0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.8318 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2839 0.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2839 -0.3529 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
23 24 1 0 0 0 0
19 25 1 0 0 0 0
18 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 2 0 0 0 0
26 29 2 0 0 0 0
S SKP 8
ID FL5FECGSS001
KNApSAcK_ID C00013955
NAME Axillarin 7-sulfate;Quercetagetin 3,6-dimethyl ether 7-sulfate;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-7-(sulfooxy)-4H-1-benzopyran-4-one
CAS_RN 737749-32-5
FORMULA C17H14O11S
EXACTMASS 426.02568198
AVERAGEMASS 426.35246000000006
SMILES COC(C(=O)2)=C(Oc(c3)c2c(O)c(OC)c(OS(O)(=O)=O)3)c(c1)cc(O)c(O)c1
M END
