Mol:FL3FECNSS008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.1095 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1095 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6584 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2074 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2074 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6584 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2437 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2437 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4154 -1.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1457 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0651 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0651 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1457 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6584 -1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0651 0.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6243 0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6243 0.9680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1084 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6243 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8668 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5813 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8668 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
21 24 2 0 0 0 0
1 20 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
16 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 1.8668 1.3681
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.8668 -1.3868
S SKP 8
ID FL3FECNSS008
KNApSAcK_ID C00004411
NAME 6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate
CAS_RN 111509-46-7
FORMULA C17H14O10S
EXACTMASS 410.030767358
AVERAGEMASS 410.35306
SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c1OS(O)(=O)=O
M END
